diff --git a/common/python/nomadcore/structure_types.py b/common/python/nomadcore/structure_types.py
index 5f9c32fdeba9226c78bc989bdde8667280842482..08c4bb7a856d63ba19770bd13a59b595ee4a7a21 100644
--- a/common/python/nomadcore/structure_types.py
+++ b/common/python/nomadcore/structure_types.py
@@ -1,7 +1,7 @@
# -*- coding: utf-8 -*-
structure_types_by_spacegroup = {
- 1: [{'AFLOW prototype label': 'ABC2_aP16_1_4a_4a_8a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/ABC2_aP16_1_4a_4a_8a.html',
+ 1: [{'aflow_prototype_id': 'ABC2_aP16_1_4a_4a_8a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/ABC2_aP16_1_4a_4a_8a.html',
'Notes': '-',
'Pearsons Symbol': 'aP16',
'Prototype': 'AsKSe2',
@@ -67,8 +67,8 @@ structure_types_by_spacegroup = {
-1.57179078e-10,
6.04874577e-10]],
'normalized_wyckoff': {'a': {'X_0': 7, 'X_1': 4, 'X_2': 4, 'X_3': 1}}},
- {'AFLOW prototype label': 'AB2_aP12_1_4a_8a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB2_aP12_1_4a_8a.html',
+ {'aflow_prototype_id': 'AB2_aP12_1_4a_8a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2_aP12_1_4a_8a.html',
'Notes': '-',
'Pearsons Symbol': 'aP12',
'Prototype': 'FeS2',
@@ -123,8 +123,8 @@ structure_types_by_spacegroup = {
'lattice_vectors': [[5.417e-10, 0.0, 0.0],
[0.0, 5.417e-10, 0.0],
[0.0, 0.0, 5.417e-10]]}],
- 2: [{'AFLOW prototype label': 'A_aP4_2_aci',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_aP4_2_aci.html',
+ 2: [{'aflow_prototype_id': 'A_aP4_2_aci',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_aP4_2_aci.html',
'Notes': '-',
'Pearsons Symbol': 'aP4',
'Prototype': 'Cf',
@@ -148,8 +148,8 @@ structure_types_by_spacegroup = {
7.391140000000001e-10,
0.0],
[2.3614e-11, 2.819e-12, 2.78286e-10]]},
- {'AFLOW prototype label': 'A2B_aP6_2_2i_i',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_aP6_2_2i_i.html',
+ {'aflow_prototype_id': 'A2B_aP6_2_2i_i',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_aP6_2_2i_i.html',
'Notes': '-',
'Pearsons Symbol': 'aP6',
'Prototype': 'P2I4',
@@ -176,8 +176,8 @@ structure_types_by_spacegroup = {
[-1.00696027e-10, 6.98782019e-10, 0.0],
[-2.15943322e-10, 9.6138158e-11, 7.01231728e-10]],
'normalized_wyckoff': {'i': {'X_0': 2, 'X_1': 1}}}],
- 3: [{'AFLOW prototype label': 'A2B_mP12_3_bc3e_2e',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_mP12_3_bc3e_2e.html',
+ 3: [{'aflow_prototype_id': 'A2B_mP12_3_bc3e_2e',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_mP12_3_bc3e_2e.html',
'Notes': 'found in atomistic simulations',
'Pearsons Symbol': 'mP12',
'Prototype': 'O2Si',
@@ -215,8 +215,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'b': {'X_0': 1},
'c': {'X_0': 1},
'e': {'X_0': 6, 'X_1': 4}}}],
- 4: [{'AFLOW prototype label': 'A_mP4_4_2a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_mP4_4_2a.html',
+ 4: [{'aflow_prototype_id': 'A_mP4_4_2a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_mP4_4_2a.html',
'Notes': 'high-pressure Te',
'Pearsons Symbol': 'mP4',
'Prototype': 'Te',
@@ -237,8 +237,8 @@ structure_types_by_spacegroup = {
[0.0, 7.513e-10, 0.0],
[-2.2505655999999998e-11, 0.0, 4.7546766e-10]],
'normalized_wyckoff': {'a': {'X_0': 1}}}],
- 9: [{'AFLOW prototype label': 'A2B_mC144_9_24a_12a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_mC144_9_24a_12a.html',
+ 9: [{'aflow_prototype_id': 'A2B_mC144_9_24a_12a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_mC144_9_24a_12a.html',
'Notes': 'monoclinic low tridymite',
'Pearsons Symbol': 'mC144',
'Prototype': 'O2Si',
@@ -538,8 +538,8 @@ structure_types_by_spacegroup = {
[9.262e-10, 2.5016e-10, 0.0],
[-6.49098953e-10, 0.0, 2.290814604e-09]],
'normalized_wyckoff': {'a': {'X_0': 2, 'X_1': 1}}}],
- 11: [{'AFLOW prototype label': 'ABC3_mP10_11_e_e_ef',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/ABC3_mP10_11_e_e_ef.html',
+ 11: [{'aflow_prototype_id': 'ABC3_mP10_11_e_e_ef',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/ABC3_mP10_11_e_e_ef.html',
'Notes': '-',
'Pearsons Symbol': 'mP10',
'Prototype': 'KClO3',
@@ -567,8 +567,8 @@ structure_types_by_spacegroup = {
[-2.3108635e-10, 0.0, 6.692257500000001e-10]],
'normalized_wyckoff': {'e': {'X_0': 1, 'X_1': 1, 'X_2': 1},
'f': {'X_0': 2}}},
- {'AFLOW prototype label': 'AB_mP4_11_e_e',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_mP4_11_e_e.html',
+ {'aflow_prototype_id': 'AB_mP4_11_e_e',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_mP4_11_e_e.html',
'Notes': '-',
'Pearsons Symbol': 'mP4',
'Prototype': 'NiTi',
@@ -591,8 +591,8 @@ structure_types_by_spacegroup = {
[0.0, 4.1100000000000003e-10, 0.0],
[-6.573042500000001e-11, 0.0, 4.61846036e-10]],
'normalized_wyckoff': {'e': {'X_0': 1, 'X_1': 1}}},
- {'AFLOW prototype label': 'A_mP16_11_8e',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_mP16_11_8e.html',
+ {'aflow_prototype_id': 'A_mP16_11_8e',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_mP16_11_8e.html',
'Notes': '-',
'Pearsons Symbol': 'mP16',
'Prototype': 'Pu (alpha)',
@@ -668,8 +668,8 @@ structure_types_by_spacegroup = {
[0.0, 4.822e-10, 0.0],
[-2.2381441e-10, 0.0, 1.07321051e-09]],
'normalized_wyckoff': {'e': {'X_0': 1}}}],
- 12: [{'AFLOW prototype label': 'AB3_mC16_12_g_ij',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB3_mC16_12_g_ij.html',
+ 12: [{'aflow_prototype_id': 'AB3_mC16_12_g_ij',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB3_mC16_12_g_ij.html',
'Notes': '-',
'Pearsons Symbol': 'mC16',
'Prototype': 'AlCl3',
@@ -700,8 +700,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'g': {'X_1': 1},
'i': {'X_0': 1},
'j': {'X_0': 2}}},
- {'AFLOW prototype label': 'A5B2_mC14_12_a2i_i',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A5B2_mC14_12_a2i_i.html',
+ {'aflow_prototype_id': 'A5B2_mC14_12_a2i_i',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A5B2_mC14_12_a2i_i.html',
'Notes': '-',
'Pearsons Symbol': 'mC14',
'Prototype': 'Au5Mn2',
@@ -725,8 +725,8 @@ structure_types_by_spacegroup = {
0.0],
[-8.524055e-11, 0.0, 6.422682100000001e-10]],
'normalized_wyckoff': {'a': {'X_0': 1}, 'i': {'X_0': 4, 'X_1': 2}}},
- {'AFLOW prototype label': 'AB2_mC6_12_a_i',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB2_mC6_12_a_i.html',
+ {'aflow_prototype_id': 'AB2_mC6_12_a_i',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2_mC6_12_a_i.html',
'Notes': 'calaverite',
'Pearsons Symbol': 'mC6',
'Prototype': 'AuTe2',
@@ -742,8 +742,8 @@ structure_types_by_spacegroup = {
[3.5945e-10, 2.2035e-10, 0.0],
[3.5388293e-13, 0.0, 5.0689987647e-10]],
'normalized_wyckoff': {'a': {'X_1': 1}, 'i': {'X_0': 2}}},
- {'AFLOW prototype label': 'A_mC4_12_i',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_mC4_12_i.html',
+ {'aflow_prototype_id': 'A_mC4_12_i',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_mC4_12_i.html',
'Notes': '-',
'Pearsons Symbol': 'mC4',
'Prototype': 'O2 (alpha)',
@@ -758,8 +758,8 @@ structure_types_by_spacegroup = {
[2.6945000000000004e-10, 1.7165e-10, 0.0],
[-3.41088214e-10, 0.0, 3.75245573e-10]],
'normalized_wyckoff': {'i': {'X_0': 1}}},
- {'AFLOW prototype label': 'A_mC34_12_ah3i2j',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_mC34_12_ah3i2j.html',
+ {'aflow_prototype_id': 'A_mC34_12_ah3i2j',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_mC34_12_ah3i2j.html',
'Notes': 'alternate orientation',
'Pearsons Symbol': 'mC34',
'Prototype': 'Pu (beta)',
@@ -816,8 +816,8 @@ structure_types_by_spacegroup = {
'h': {'X_0': 2},
'i': {'X_0': 6},
'j': {'X_0': 8}}}],
- 13: [{'AFLOW prototype label': 'ABC4_mP12_13_e_a_2g',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/ABC4_mP12_13_e_a_2g.html',
+ 13: [{'aflow_prototype_id': 'ABC4_mP12_13_e_a_2g',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/ABC4_mP12_13_e_a_2g.html',
'Notes': '-',
'Pearsons Symbol': 'mP12',
'Prototype': 'AgAuTe4',
@@ -869,8 +869,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_1': 1},
'f': {'X_2': 1},
'g': {'X_0': 4}}},
- {'AFLOW prototype label': 'A_mP84_13_21g',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_mP84_13_21g.html',
+ {'aflow_prototype_id': 'A_mP84_13_21g',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_mP84_13_21g.html',
'Notes': 'monoclinic phosphorus',
'Pearsons Symbol': 'mP84',
'Prototype': 'P',
@@ -1218,8 +1218,8 @@ structure_types_by_spacegroup = {
[0.0, 9.15e-10, 0.0],
[-6.26731116e-10, 0.0, 2.171360888e-09]],
'normalized_wyckoff': {'g': {'X_0': 1}}}],
- 14: [{'AFLOW prototype label': 'A2B_mP12_14_2e_e',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_mP12_14_2e_e.html',
+ 14: [{'aflow_prototype_id': 'A2B_mP12_14_2e_e',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_mP12_14_2e_e.html',
'Notes': 'baddeleyite',
'Pearsons Symbol': 'mP12',
'Prototype': 'O2Zr',
@@ -1267,8 +1267,8 @@ structure_types_by_spacegroup = {
[0.0, 5.2075e-10, 0.0],
[-8.5213078e-11, 0.0, 5.2418897e-10]],
'normalized_wyckoff': {'e': {'X_0': 2, 'X_1': 1}}},
- {'AFLOW prototype label': 'A_mP64_14_16e',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_mP64_14_16e.html',
+ {'aflow_prototype_id': 'A_mP64_14_16e',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_mP64_14_16e.html',
'Notes': '-',
'Pearsons Symbol': 'mP64',
'Prototype': 'Se (alpha)',
@@ -1502,8 +1502,8 @@ structure_types_by_spacegroup = {
[0.0, 1.4712999999999999e-09, 0.0],
[-5.534e-11, 0.0, 8.77156e-10]],
'normalized_wyckoff': {'e': {'X_0': 1}}},
- {'AFLOW prototype label': 'A_mP32_14_8e',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_mP32_14_8e.html',
+ {'aflow_prototype_id': 'A_mP32_14_8e',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_mP32_14_8e.html',
'Notes': '-',
'Pearsons Symbol': 'mP32',
'Prototype': 'Se (beta)',
@@ -1627,8 +1627,8 @@ structure_types_by_spacegroup = {
[0.0, 8.070000000000001e-10, 0.0],
[-7.0163e-11, 0.0, 1.2830830000000002e-09]],
'normalized_wyckoff': {'e': {'X_0': 1}}}],
- 15: [{'AFLOW prototype label': 'A2B5_mC28_15_f_e2f',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B5_mC28_15_f_e2f.html',
+ 15: [{'aflow_prototype_id': 'A2B5_mC28_15_f_e2f',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B5_mC28_15_f_e2f.html',
'Notes': '-',
'Pearsons Symbol': 'mC28',
'Prototype': 'B2Pd5',
@@ -1682,8 +1682,8 @@ structure_types_by_spacegroup = {
[6.39e-10, 2.4775e-10, 0.0],
[-6.697127000000001e-11, 0.0, 5.4308626e-10]],
'normalized_wyckoff': {'e': {'X_0': 1}, 'f': {'X_0': 4, 'X_1': 2}}},
- {'AFLOW prototype label': 'ABC6D2_mC40_15_e_e_3f_f',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/ABC6D2_mC40_15_e_e_3f_f.html',
+ {'aflow_prototype_id': 'ABC6D2_mC40_15_e_e_3f_f',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/ABC6D2_mC40_15_e_e_3f_f.html',
'Notes': 'esseneite',
'Pearsons Symbol': 'mC40',
'Prototype': 'CaFeO6Si2',
@@ -1760,8 +1760,8 @@ structure_types_by_spacegroup = {
[-1.56016582e-10, 0.0, 5.513509100000001e-10]],
'normalized_wyckoff': {'e': {'X_2': 1, 'X_3': 1},
'f': {'X_0': 6, 'X_1': 2}}},
- {'AFLOW prototype label': 'AB_mC8_15_c_e',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_mC8_15_c_e.html',
+ {'aflow_prototype_id': 'AB_mC8_15_c_e',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_mC8_15_c_e.html',
'Notes': 'tenorite',
'Pearsons Symbol': 'mC8',
'Prototype': 'CuO',
@@ -1782,8 +1782,8 @@ structure_types_by_spacegroup = {
[2.3265e-10, 1.705e-10, 0.0],
[-8.416000000000001e-11, 0.0, 5.03819e-10]],
'normalized_wyckoff': {'c': {'X_0': 1}, 'e': {'X_1': 1}}},
- {'AFLOW prototype label': 'A2B_mC48_15_ae3f_2f',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_mC48_15_ae3f_2f.html',
+ {'aflow_prototype_id': 'A2B_mC48_15_ae3f_2f',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_mC48_15_ae3f_2f.html',
'Notes': 'coesite',
'Pearsons Symbol': 'mC48',
'Prototype': 'O2Si',
@@ -1889,8 +1889,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'d': {'X_0': 1},
'e': {'X_0': 1},
'f': {'X_0': 6, 'X_1': 4}}}],
- 16: [{'AFLOW prototype label': 'ABC4_oP12_16_ag_cd_2u',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/ABC4_oP12_16_ag_cd_2u.html',
+ 16: [{'aflow_prototype_id': 'ABC4_oP12_16_ag_cd_2u',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/ABC4_oP12_16_ag_cd_2u.html',
'Notes': '-',
'Pearsons Symbol': 'oP12',
'Prototype': 'AlPS4',
@@ -1944,8 +1944,8 @@ structure_types_by_spacegroup = {
'd': {'X_2': 1},
'f': {'X_1': 1},
'u': {'X_0': 8}}}],
- 18: [{'AFLOW prototype label': 'AB3_oP16_18_ab_3c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB3_oP16_18_ab_3c.html',
+ 18: [{'aflow_prototype_id': 'AB3_oP16_18_ab_3c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB3_oP16_18_ab_3c.html',
'Notes': '-',
'Pearsons Symbol': 'oP16',
'Prototype': 'BaS3',
@@ -2001,8 +2001,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_1': 1},
'b': {'X_1': 1},
'c': {'X_0': 6}}}],
- 19: [{'AFLOW prototype label': 'A2B_oP12_19_2a_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_oP12_19_2a_a.html',
+ 19: [{'aflow_prototype_id': 'A2B_oP12_19_2a_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_oP12_19_2a_a.html',
'Notes': 'naumannite',
'Pearsons Symbol': 'oP12',
'Prototype': 'Ag2Se',
@@ -2050,8 +2050,8 @@ structure_types_by_spacegroup = {
[0.0, 7.062000000000001e-10, 0.0],
[0.0, 0.0, 7.764e-10]],
'normalized_wyckoff': {'a': {'X_0': 1, 'X_1': 1, 'X_2': 1}}}],
- 20: [{'AFLOW prototype label': 'A2B_oC24_20_abc_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_oC24_20_abc_c.html',
+ 20: [{'aflow_prototype_id': 'A2B_oC24_20_abc_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_oC24_20_abc_c.html',
'Notes': 'orthorhombic tridymite',
'Pearsons Symbol': 'oC24',
'Prototype': 'O2Si',
@@ -2109,8 +2109,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_0': 1},
'b': {'X_0': 1},
'c': {'X_0': 2, 'X_1': 2}}}],
- 25: [{'AFLOW prototype label': 'AB_oP2_25_b_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_oP2_25_b_a.html',
+ 25: [{'aflow_prototype_id': 'AB_oP2_25_b_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_oP2_25_b_a.html',
'Notes': '-',
'Pearsons Symbol': 'oP2',
'Prototype': 'CdTe',
@@ -2124,8 +2124,8 @@ structure_types_by_spacegroup = {
[0.0, 5.258e-10, 0.0],
[0.0, 0.0, 3.0265e-10]],
'normalized_wyckoff': {'a': {'X_0': 1}, 'b': {'X_1': 1}}}],
- 28: [{'AFLOW prototype label': 'AB2_oP24_28_acd_2c3d',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB2_oP24_28_acd_2c3d.html',
+ 28: [{'aflow_prototype_id': 'AB2_oP24_28_acd_2c3d',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2_oP24_28_acd_2c3d.html',
'Notes': 'krennerite',
'Pearsons Symbol': 'oP24',
'Prototype': 'AuTe2',
@@ -2193,8 +2193,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_1': 1},
'c': {'X_0': 2, 'X_1': 1},
'd': {'X_0': 6, 'X_1': 2}}}],
- 31: [{'AFLOW prototype label': 'AB3C4_oP16_31_a_ab_2ab',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB3C4_oP16_31_a_ab_2ab.html',
+ 31: [{'aflow_prototype_id': 'AB3C4_oP16_31_a_ab_2ab',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB3C4_oP16_31_a_ab_2ab.html',
'Notes': 'enargite',
'Pearsons Symbol': 'oP16',
'Prototype': 'AsCu3S4',
@@ -2265,8 +2265,8 @@ structure_types_by_spacegroup = {
[0.0, 0.0, 6.18e-10]],
'normalized_wyckoff': {'a': {'X_0': 2, 'X_1': 1, 'X_2': 1},
'b': {'X_0': 2, 'X_1': 2}}}],
- 33: [{'AFLOW prototype label': 'AB_oP8_33_a_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_oP8_33_a_a.html',
+ 33: [{'aflow_prototype_id': 'AB_oP8_33_a_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_oP8_33_a_a.html',
'Notes': 'modderite',
'Pearsons Symbol': 'oP8',
'Prototype': 'AsCo',
@@ -2302,8 +2302,8 @@ structure_types_by_spacegroup = {
'lattice_vectors': [[5.2857e-10, 0.0, 0.0],
[0.0, 5.8675e-10, 0.0],
[0.0, 0.0, 3.4883e-10]]},
- {'AFLOW prototype label': 'AB3C4_oP32_33_a_3a_4a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB3C4_oP32_33_a_3a_4a.html',
+ {'aflow_prototype_id': 'AB3C4_oP32_33_a_3a_4a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB3C4_oP32_33_a_3a_4a.html',
'Notes': '-',
'Pearsons Symbol': 'oP32',
'Prototype': 'AsK3S4',
@@ -2427,8 +2427,8 @@ structure_types_by_spacegroup = {
[0.0, 9.28e-10, 0.0],
[0.0, 0.0, 1.058e-09]],
'normalized_wyckoff': {'a': {'X_0': 4, 'X_1': 3, 'X_2': 1}}}],
- 36: [{'AFLOW prototype label': 'A2B_oC12_36_2a_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_oC12_36_2a_a.html',
+ 36: [{'aflow_prototype_id': 'A2B_oC12_36_2a_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_oC12_36_2a_a.html',
'Notes': '-',
'Pearsons Symbol': 'oC12',
'Prototype': 'HgBr2',
@@ -2447,8 +2447,8 @@ structure_types_by_spacegroup = {
[2.31e-10, 3.395e-10, 0.0],
[0.0, 0.0, 1.244e-09]],
'normalized_wyckoff': {'a': {'X_0': 2, 'X_1': 1}}}],
- 38: [{'AFLOW prototype label': 'A2B_oC12_38_de_ab',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_oC12_38_de_ab.html',
+ 38: [{'aflow_prototype_id': 'A2B_oC12_38_de_ab',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_oC12_38_de_ab.html',
'Notes': '-',
'Pearsons Symbol': 'oC12',
'Prototype': 'Au2V',
@@ -2466,8 +2466,8 @@ structure_types_by_spacegroup = {
'lattice_vectors': [[4.684e-10, 0.0, 0.0],
[0.0, 4.241e-10, -2.405e-10],
[0.0, 4.241e-10, 2.405e-10]]},
- {'AFLOW prototype label': 'A2BC_oC8_38_e_a_b',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2BC_oC8_38_e_a_b.html',
+ {'aflow_prototype_id': 'A2BC_oC8_38_e_a_b',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2BC_oC8_38_e_a_b.html',
'Notes': '-',
'Pearsons Symbol': 'oC8',
'Prototype': 'C2CeNi',
@@ -2486,8 +2486,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_1': 1},
'b': {'X_2': 1},
'e': {'X_0': 2}}}],
- 41: [{'AFLOW prototype label': 'AB2_oC24_41_2a_2b',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB2_oC24_41_2a_2b.html',
+ 41: [{'aflow_prototype_id': 'AB2_oC24_41_2a_2b',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2_oC24_41_2a_2b.html',
'Notes': '-',
'Pearsons Symbol': 'oC24',
'Prototype': 'PdSn2',
@@ -2530,8 +2530,8 @@ structure_types_by_spacegroup = {
'lattice_vectors': [[6.478e-10, 0.0, 0.0],
[0.0, 3.239e-10, -6.0775e-10],
[0.0, 3.239e-10, 6.0775e-10]]},
- {'AFLOW prototype label': 'AB4_oC20_41_a_2b',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB4_oC20_41_a_2b.html',
+ {'aflow_prototype_id': 'AB4_oC20_41_a_2b',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB4_oC20_41_a_2b.html',
'Notes': 'PdSn4',
'Pearsons Symbol': 'oC20',
'Prototype': 'PtSn4',
@@ -2570,8 +2570,8 @@ structure_types_by_spacegroup = {
'lattice_vectors': [[6.38e-10, 0.0, 0.0],
[0.0, 3.2095e-10, -5.6785e-10],
[0.0, 3.2095e-10, 5.6785e-10]]}],
- 43: [{'AFLOW prototype label': 'AB2_oF72_43_ab_3b',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB2_oF72_43_ab_3b.html',
+ 43: [{'aflow_prototype_id': 'AB2_oF72_43_ab_3b',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2_oF72_43_ab_3b.html',
'Notes': '-',
'Pearsons Symbol': 'oF72',
'Prototype': 'GeS2',
@@ -2635,8 +2635,8 @@ structure_types_by_spacegroup = {
[5.830000000000001e-10, 0.0, 3.43e-10],
[5.830000000000001e-10, 1.117e-09, 0.0]],
'normalized_wyckoff': {'a': {'X_1': 1}, 'b': {'X_0': 6, 'X_1': 2}}}],
- 44: [{'AFLOW prototype label': 'AB_oI4_44_a_b',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_oI4_44_a_b.html',
+ 44: [{'aflow_prototype_id': 'AB_oI4_44_a_b',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_oI4_44_a_b.html',
'Notes': '> 24 GPa',
'Pearsons Symbol': 'oI4',
'Prototype': 'AsGa',
@@ -2653,8 +2653,8 @@ structure_types_by_spacegroup = {
2.395e-10,
1.3174999999999998e-10]],
'normalized_wyckoff': {'a': {'X_0': 1}, 'b': {'X_1': 1}}}],
- 47: [{'AFLOW prototype label': 'A2B3C7D_oP13_47_t_aq_eqrs_h',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B3C7D_oP13_47_t_aq_eqrs_h.html',
+ 47: [{'aflow_prototype_id': 'A2B3C7D_oP13_47_t_aq_eqrs_h',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B3C7D_oP13_47_t_aq_eqrs_h.html',
'Notes': '-',
'Pearsons Symbol': 'oP13',
'Prototype': 'Ba2Cu3O7-xY',
@@ -2698,8 +2698,8 @@ structure_types_by_spacegroup = {
'j': {'X_0': 2},
'k': {'X_0': 2},
'l': {'X_0': 2, 'X_1': 2}}}],
- 51: [{'AFLOW prototype label': 'AB_oP4_51_e_f',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_oP4_51_e_f.html',
+ 51: [{'aflow_prototype_id': 'AB_oP4_51_e_f',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_oP4_51_e_f.html',
'Notes': '-',
'Pearsons Symbol': 'oP4',
'Prototype': 'AuCd',
@@ -2720,8 +2720,8 @@ structure_types_by_spacegroup = {
[0.0, 3.1476e-10, 0.0],
[0.0, 0.0, 4.8546e-10]],
'normalized_wyckoff': {'e': {'X_0': 1}, 'f': {'X_1': 1}}}],
- 56: [{'AFLOW prototype label': 'A3B2_oP20_56_ce_e',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A3B2_oP20_56_ce_e.html',
+ 56: [{'aflow_prototype_id': 'A3B2_oP20_56_ce_e',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A3B2_oP20_56_ce_e.html',
'Notes': '-',
'Pearsons Symbol': 'oP20',
'Prototype': 'O3Sb2',
@@ -2807,8 +2807,8 @@ structure_types_by_spacegroup = {
[0.0, 1.2464000000000002e-09, 0.0],
[0.0, 0.0, 5.412000000000001e-10]],
'normalized_wyckoff': {'c': {'X_0': 1}, 'e': {'X_0': 2, 'X_1': 2}}}],
- 57: [{'AFLOW prototype label': 'ABCD_oP16_57_d_c_d_d',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/ABCD_oP16_57_d_c_d_d.html',
+ 57: [{'aflow_prototype_id': 'ABCD_oP16_57_d_c_d_d',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/ABCD_oP16_57_d_c_d_d.html',
'Notes': '-',
'Pearsons Symbol': 'oP16',
'Prototype': 'CKNS',
@@ -2869,8 +2869,8 @@ structure_types_by_spacegroup = {
[0.0, 0.0, 7.580000000000001e-10]],
'normalized_wyckoff': {'c': {'X_0': 1},
'd': {'X_1': 1, 'X_2': 1, 'X_3': 1}}}],
- 58: [{'AFLOW prototype label': 'AB2_oP6_58_a_g',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB2_oP6_58_a_g.html',
+ 58: [{'aflow_prototype_id': 'AB2_oP6_58_a_g',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2_oP6_58_a_g.html',
'Notes': '-',
'Pearsons Symbol': 'oP6',
'Prototype': 'CFe2',
@@ -2889,8 +2889,8 @@ structure_types_by_spacegroup = {
[0.0, 4.318e-10, 0.0],
[0.0, 0.0, 2.83e-10]],
'normalized_wyckoff': {'a': {'X_1': 1}, 'g': {'X_0': 2}}},
- {'AFLOW prototype label': 'AB2_oP6_58_a_g',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB2_oP6_58_a_g.html',
+ {'aflow_prototype_id': 'AB2_oP6_58_a_g',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2_oP6_58_a_g.html',
'Notes': '-',
'Pearsons Symbol': 'oP6',
'Prototype': 'CaCl2',
@@ -2913,8 +2913,8 @@ structure_types_by_spacegroup = {
[0.0, 6.43e-10, 0.0],
[0.0, 0.0, 4.2000000000000005e-10]],
'normalized_wyckoff': {'a': {'X_1': 1}, 'g': {'X_0': 2}}},
- {'AFLOW prototype label': 'AB2_oP6_58_a_g',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB2_oP6_58_a_g.html',
+ {'aflow_prototype_id': 'AB2_oP6_58_a_g',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2_oP6_58_a_g.html',
'Notes': 'marcasite',
'Pearsons Symbol': 'oP6',
'Prototype': 'FeS2',
@@ -2939,8 +2939,8 @@ structure_types_by_spacegroup = {
[0.0, 5.4246e-10, 0.0],
[0.0, 0.0, 3.3864e-10]],
'normalized_wyckoff': {'a': {'X_1': 1}, 'g': {'X_0': 2}}}],
- 59: [{'AFLOW prototype label': 'ABC_oP6_59_a_a_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/ABC_oP6_59_a_a_a.html',
+ 59: [{'aflow_prototype_id': 'ABC_oP6_59_a_a_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/ABC_oP6_59_a_a_a.html',
'Notes': 'cyanogen chloride',
'Pearsons Symbol': 'oP6',
'Prototype': 'CClN',
@@ -2958,8 +2958,8 @@ structure_types_by_spacegroup = {
'lattice_vectors': [[5.684e-10, 0.0, 0.0],
[0.0, 3.977e-10, 0.0],
[0.0, 0.0, 5.740000000000001e-10]]},
- {'AFLOW prototype label': 'AB_oP4_59_a_b',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_oP4_59_a_b.html',
+ {'aflow_prototype_id': 'AB_oP4_59_a_b',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_oP4_59_a_b.html',
'Notes': '-',
'Pearsons Symbol': 'oP4',
'Prototype': 'CuTe',
@@ -2977,8 +2977,8 @@ structure_types_by_spacegroup = {
'lattice_vectors': [[3.1e-10, 0.0, 0.0],
[0.0, 4.0199999999999996e-10, 0.0],
[0.0, 0.0, 6.86e-10]]},
- {'AFLOW prototype label': 'A3B_oP8_59_bf_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A3B_oP8_59_bf_a.html',
+ {'aflow_prototype_id': 'A3B_oP8_59_bf_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A3B_oP8_59_bf_a.html',
'Notes': '-',
'Pearsons Symbol': 'oP8',
'Prototype': 'Cu3Ti (beta)',
@@ -2998,8 +2998,8 @@ structure_types_by_spacegroup = {
'lattice_vectors': [[5.504e-10, 0.0, 0.0],
[0.0, 4.353e-10, 0.0],
[0.0, 0.0, 4.767999999999999e-10]]}],
- 61: [{'AFLOW prototype label': 'AB_oP16_61_c_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_oP16_61_c_c.html',
+ 61: [{'aflow_prototype_id': 'AB_oP16_61_c_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_oP16_61_c_c.html',
'Notes': '-',
'Pearsons Symbol': 'oP16',
'Prototype': 'CdSb',
@@ -3059,8 +3059,8 @@ structure_types_by_spacegroup = {
[0.0, 8.251e-10, 0.0],
[0.0, 0.0, 8.522e-10]],
'normalized_wyckoff': {'c': {'X_0': 1, 'X_1': 1}}},
- {'AFLOW prototype label': 'A2B_oP24_61_2c_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_oP24_61_2c_c.html',
+ {'aflow_prototype_id': 'A2B_oP24_61_2c_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_oP24_61_2c_c.html',
'Notes': 'brookite',
'Pearsons Symbol': 'oP24',
'Prototype': 'O2Ti',
@@ -3150,8 +3150,8 @@ structure_types_by_spacegroup = {
[0.0, 3.449e-10, 0.0],
[0.0, 0.0, 5.138e-10]],
'normalized_wyckoff': {'c': {'X_0': 2, 'X_1': 1}}}],
- 62: [{'AFLOW prototype label': 'AB_oP8_62_c_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_oP8_62_c_c.html',
+ 62: [{'aflow_prototype_id': 'AB_oP8_62_c_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_oP8_62_c_c.html',
'Notes': '-',
'Pearsons Symbol': 'oP8',
'Prototype': 'BFe',
@@ -3176,8 +3176,8 @@ structure_types_by_spacegroup = {
[0.0, 2.9460000000000005e-10, 0.0],
[0.0, 0.0, 4.053e-10]],
'normalized_wyckoff': {'c': {'X_0': 1, 'X_1': 1}}},
- {'AFLOW prototype label': 'A4B_oP20_62_2cd_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A4B_oP20_62_2cd_c.html',
+ {'aflow_prototype_id': 'A4B_oP20_62_2cd_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A4B_oP20_62_2cd_c.html',
'Notes': '-',
'Pearsons Symbol': 'oP20',
'Prototype': 'B4Mg',
@@ -3243,8 +3243,8 @@ structure_types_by_spacegroup = {
[0.0, 4.428e-10, 0.0],
[0.0, 0.0, 7.472000000000001e-10]],
'normalized_wyckoff': {'c': {'X_0': 2, 'X_1': 1}, 'd': {'X_0': 2}}},
- {'AFLOW prototype label': 'A3B7_oP40_62_cd_3c2d',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A3B7_oP40_62_cd_3c2d.html',
+ {'aflow_prototype_id': 'A3B7_oP40_62_cd_3c2d',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A3B7_oP40_62_cd_3c2d.html',
'Notes': '-',
'Pearsons Symbol': 'oP40',
'Prototype': 'C3Cr7',
@@ -3397,8 +3397,8 @@ structure_types_by_spacegroup = {
[0.0, 0.0, 1.2142e-09]],
'normalized_wyckoff': {'c': {'X_0': 3, 'X_1': 1},
'd': {'X_0': 4, 'X_1': 2}}},
- {'AFLOW prototype label': 'AB3_oP16_62_c_cd',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB3_oP16_62_c_cd.html',
+ {'aflow_prototype_id': 'AB3_oP16_62_c_cd',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB3_oP16_62_c_cd.html',
'Notes': 'cementite',
'Pearsons Symbol': 'oP16',
'Prototype': 'CFe3',
@@ -3466,8 +3466,8 @@ structure_types_by_spacegroup = {
[0.0, 6.748e-10, 0.0],
[0.0, 0.0, 4.523e-10]],
'normalized_wyckoff': {'c': {'X_0': 1, 'X_1': 1}, 'd': {'X_0': 2}}},
- {'AFLOW prototype label': 'AB3C_oP20_62_c_cd_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB3C_oP20_62_c_cd_a.html',
+ {'aflow_prototype_id': 'AB3C_oP20_62_c_cd_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB3C_oP20_62_c_cd_a.html',
'Notes': 'perovskite',
'Pearsons Symbol': 'oP20',
'Prototype': 'CaO3Ti',
@@ -3553,8 +3553,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_1': 1},
'c': {'X_0': 1, 'X_2': 1},
'd': {'X_0': 2}}},
- {'AFLOW prototype label': 'A2B_oP12_62_2c_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_oP12_62_2c_c.html',
+ {'aflow_prototype_id': 'A2B_oP12_62_2c_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_oP12_62_2c_c.html',
'Notes': '-',
'Pearsons Symbol': 'oP12',
'Prototype': 'Co2Si',
@@ -3600,8 +3600,8 @@ structure_types_by_spacegroup = {
[0.0, 3.65e-10, 0.0],
[0.0, 0.0, 6.091e-10]],
'normalized_wyckoff': {'c': {'X_0': 2, 'X_1': 1}}},
- {'AFLOW prototype label': 'AB2C_oP16_62_c_2c_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB2C_oP16_62_c_2c_c.html',
+ {'aflow_prototype_id': 'AB2C_oP16_62_c_2c_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2C_oP16_62_c_2c_c.html',
'Notes': '-',
'Pearsons Symbol': 'oP16',
'Prototype': 'CuSbS2',
@@ -3645,8 +3645,8 @@ structure_types_by_spacegroup = {
[0.0, 3.78e-10, 0.0],
[0.0, 0.0, 1.445e-09]],
'normalized_wyckoff': {'c': {'X_0': 2, 'X_1': 1, 'X_2': 1}}},
- {'AFLOW prototype label': 'AB_oP8_62_c_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_oP8_62_c_c.html',
+ {'aflow_prototype_id': 'AB_oP8_62_c_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_oP8_62_c_c.html',
'Notes': '-',
'Pearsons Symbol': 'oP8',
'Prototype': 'GeS',
@@ -3677,8 +3677,8 @@ structure_types_by_spacegroup = {
[0.0, 3.464e-10, 0.0],
[0.0, 0.0, 4.2990000000000004e-10]],
'normalized_wyckoff': {'c': {'X_0': 1, 'X_1': 1}}},
- {'AFLOW prototype label': 'A2B_oP12_62_2c_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_oP12_62_2c_c.html',
+ {'aflow_prototype_id': 'A2B_oP12_62_2c_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_oP12_62_2c_c.html',
'Notes': '-',
'Pearsons Symbol': 'oP12',
'Prototype': 'HgCl2',
@@ -3730,8 +3730,8 @@ structure_types_by_spacegroup = {
[0.0, 4.3070000000000007e-10, 0.0],
[0.0, 0.0, 5.936e-10]],
'normalized_wyckoff': {'c': {'X_0': 2, 'X_1': 1}}},
- {'AFLOW prototype label': 'AB_oP8_62_c_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_oP8_62_c_c.html',
+ {'aflow_prototype_id': 'AB_oP8_62_c_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_oP8_62_c_c.html',
'Notes': '-',
'Pearsons Symbol': 'oP8',
'Prototype': 'MnP',
@@ -3766,8 +3766,8 @@ structure_types_by_spacegroup = {
[0.0, 3.1741000000000004e-10, 0.0],
[0.0, 0.0, 5.9193e-10]],
'normalized_wyckoff': {'c': {'X_0': 1, 'X_1': 1}}},
- {'AFLOW prototype label': 'A_oP8_62_2c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_oP8_62_2c.html',
+ {'aflow_prototype_id': 'A_oP8_62_2c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_oP8_62_2c.html',
'Notes': '-',
'Pearsons Symbol': 'oP8',
'Prototype': 'Np (alpha)',
@@ -3804,8 +3804,8 @@ structure_types_by_spacegroup = {
[0.0, 4.723e-10, 0.0],
[0.0, 0.0, 4.887e-10]],
'normalized_wyckoff': {'c': {'X_0': 1, 'X_1': 1}}},
- {'AFLOW prototype label': 'A2B_oP12_62_2c_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_oP12_62_2c_c.html',
+ {'aflow_prototype_id': 'A2B_oP12_62_2c_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_oP12_62_2c_c.html',
'Notes': '-',
'Pearsons Symbol': 'oP12',
'Prototype': 'PbCl2',
@@ -3841,8 +3841,8 @@ structure_types_by_spacegroup = {
[0.0, 4.52e-10, 0.0],
[0.0, 0.0, 9.03e-10]],
'normalized_wyckoff': {'c': {'X_0': 2, 'X_1': 1}}},
- {'AFLOW prototype label': 'A3B2_oP20_62_3c_2c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A3B2_oP20_62_3c_2c.html',
+ {'aflow_prototype_id': 'A3B2_oP20_62_3c_2c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A3B2_oP20_62_3c_2c.html',
'Notes': '-',
'Pearsons Symbol': 'oP20',
'Prototype': 'S3Sb2',
@@ -3908,8 +3908,8 @@ structure_types_by_spacegroup = {
[0.0, 3.83e-10, 0.0],
[0.0, 0.0, 1.12e-09]],
'normalized_wyckoff': {'c': {'X_0': 3, 'X_1': 2}}},
- {'AFLOW prototype label': 'AB_oP8_62_c_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_oP8_62_c_c.html',
+ {'aflow_prototype_id': 'AB_oP8_62_c_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_oP8_62_c_c.html',
'Notes': '-',
'Pearsons Symbol': 'oP8',
'Prototype': 'SSn',
@@ -3930,8 +3930,8 @@ structure_types_by_spacegroup = {
[0.0, 3.98e-10, 0.0],
[0.0, 0.0, 4.33e-10]],
'normalized_wyckoff': {'c': {'X_0': 1, 'X_1': 1}}}],
- 63: [{'AFLOW prototype label': 'AB_oC8_63_c_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_oC8_63_c_c.html',
+ 63: [{'aflow_prototype_id': 'AB_oC8_63_c_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_oC8_63_c_c.html',
'Notes': '-',
'Pearsons Symbol': 'oC8',
'Prototype': 'BCr',
@@ -3948,8 +3948,8 @@ structure_types_by_spacegroup = {
[1.4845e-10, 3.929e-10, 0.0],
[0.0, 0.0, 2.932e-10]],
'normalized_wyckoff': {'c': {'X_0': 1, 'X_1': 1}}},
- {'AFLOW prototype label': 'AB2C_oC16_63_c_2c_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB2C_oC16_63_c_2c_c.html',
+ {'aflow_prototype_id': 'AB2C_oC16_63_c_2c_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2C_oC16_63_c_2c_c.html',
'Notes': '-',
'Pearsons Symbol': 'oC16',
'Prototype': 'CuO2Sr',
@@ -3975,8 +3975,8 @@ structure_types_by_spacegroup = {
'lattice_vectors': [[1.7885e-10, -8.171e-10, 0.0],
[1.7885e-10, 8.171e-10, 0.0],
[0.0, 0.0, 3.9182e-10]]},
- {'AFLOW prototype label': 'A2B_oC12_63_2c_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_oC12_63_2c_c.html',
+ {'aflow_prototype_id': 'A2B_oC12_63_2c_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_oC12_63_2c_c.html',
'Notes': '-',
'Pearsons Symbol': 'oC12',
'Prototype': 'Si2Zr',
@@ -3995,8 +3995,8 @@ structure_types_by_spacegroup = {
[1.865e-10, 7.36e-10, 0.0],
[0.0, 0.0, 3.67e-10]],
'normalized_wyckoff': {'c': {'X_0': 2, 'X_1': 1}}},
- {'AFLOW prototype label': 'A_oC4_63_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_oC4_63_c.html',
+ {'aflow_prototype_id': 'A_oC4_63_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_oC4_63_c.html',
'Notes': '-',
'Pearsons Symbol': 'oC4',
'Prototype': 'U (alpha)',
@@ -4011,8 +4011,8 @@ structure_types_by_spacegroup = {
[1.427e-10, 2.935e-10, 0.0],
[0.0, 0.0, 4.955e-10]],
'normalized_wyckoff': {'c': {'X_0': 1}}}],
- 64: [{'AFLOW prototype label': 'A2B2C_oC80_64_efg_efg_df',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B2C_oC80_64_efg_efg_df.html',
+ 64: [{'aflow_prototype_id': 'A2B2C_oC80_64_efg_efg_df',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B2C_oC80_64_efg_efg_df.html',
'Notes': '-',
'Pearsons Symbol': 'oC80',
'Prototype': 'B2C2Mg',
@@ -4139,8 +4139,8 @@ structure_types_by_spacegroup = {
'e': {'X_0': 1, 'X_1': 1},
'f': {'X_0': 1, 'X_1': 1, 'X_2': 1},
'g': {'X_0': 2, 'X_1': 2}}},
- {'AFLOW prototype label': 'A_oC8_64_f',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_oC8_64_f.html',
+ {'aflow_prototype_id': 'A_oC8_64_f',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_oC8_64_f.html',
'Notes': '-',
'Pearsons Symbol': 'oC8',
'Prototype': 'Ga (alpha)',
@@ -4157,8 +4157,8 @@ structure_types_by_spacegroup = {
[2.25995e-10, 3.8301500000000005e-10, 0.0],
[0.0, 0.0, 4.5259000000000004e-10]],
'normalized_wyckoff': {'f': {'X_0': 1}}},
- {'AFLOW prototype label': 'A_oC8_64_f',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_oC8_64_f.html',
+ {'aflow_prototype_id': 'A_oC8_64_f',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_oC8_64_f.html',
'Notes': '-',
'Pearsons Symbol': 'oC8',
'Prototype': 'I2',
@@ -4175,8 +4175,8 @@ structure_types_by_spacegroup = {
[3.625e-10, 2.395e-10, 0.0],
[0.0, 0.0, 9.78e-10]],
'normalized_wyckoff': {'f': {'X_0': 1}}},
- {'AFLOW prototype label': 'A_oC8_64_f',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_oC8_64_f.html',
+ {'aflow_prototype_id': 'A_oC8_64_f',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_oC8_64_f.html',
'Notes': 'black phosphorus',
'Pearsons Symbol': 'oC8',
'Prototype': 'P',
@@ -4201,8 +4201,8 @@ structure_types_by_spacegroup = {
[1.6568e-10, 5.239e-10, 0.0],
[0.0, 0.0, 4.3763e-10]],
'normalized_wyckoff': {'f': {'X_0': 1}}}],
- 65: [{'AFLOW prototype label': 'AB3_oC8_65_a_bf',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB3_oC8_65_a_bf.html',
+ 65: [{'aflow_prototype_id': 'AB3_oC8_65_a_bf',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB3_oC8_65_a_bf.html',
'Notes': 'predicted structure',
'Pearsons Symbol': 'oC8',
'Prototype': 'CdPt3',
@@ -4221,8 +4221,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_1': 1},
'b': {'X_0': 1},
'f': {'X_0': 2}}},
- {'AFLOW prototype label': 'A3B5_oC16_65_ah_bej',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A3B5_oC16_65_ah_bej.html',
+ {'aflow_prototype_id': 'A3B5_oC16_65_ah_bej',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A3B5_oC16_65_ah_bej.html',
'Notes': '-',
'Pearsons Symbol': 'oC16',
'Prototype': 'Ga3Pt5',
@@ -4247,8 +4247,8 @@ structure_types_by_spacegroup = {
'e': {'X_0': 2},
'h': {'X_0': 2},
'j': {'X_1': 2}}},
- {'AFLOW prototype label': 'AB_oC8_65_j_g',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_oC8_65_j_g.html',
+ {'aflow_prototype_id': 'AB_oC8_65_j_g',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_oC8_65_j_g.html',
'Notes': '-',
'Pearsons Symbol': 'oC8',
'Prototype': 'IrV (alpha)',
@@ -4265,8 +4265,8 @@ structure_types_by_spacegroup = {
[2.8955000000000005e-10, 3.378e-10, 0.0],
[0.0, 0.0, 2.796e-10]],
'normalized_wyckoff': {'g': {'X_0': 1}, 'j': {'X_1': 1}}}],
- 69: [{'AFLOW prototype label': 'AB_oF8_69_a_b',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_oF8_69_a_b.html',
+ 69: [{'aflow_prototype_id': 'AB_oF8_69_a_b',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_oF8_69_a_b.html',
'Notes': '-',
'Pearsons Symbol': 'oF8',
'Prototype': 'FTl',
@@ -4281,8 +4281,8 @@ structure_types_by_spacegroup = {
[2.59e-10, 0.0, 3.0400000000000004e-10],
[2.59e-10, 2.7475e-10, 0.0]],
'normalized_wyckoff': {'a': {'X_0': 1}, 'b': {'X_1': 1}}}],
- 70: [{'AFLOW prototype label': 'A_oF8_70_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_oF8_70_a.html',
+ 70: [{'aflow_prototype_id': 'A_oF8_70_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_oF8_70_a.html',
'Notes': '-',
'Pearsons Symbol': 'oF8',
'Prototype': 'Pu (gamma)',
@@ -4301,8 +4301,8 @@ structure_types_by_spacegroup = {
[1.57935e-10, 0.0, 5.081e-10],
[1.57935e-10, 2.8841000000000004e-10, 0.0]],
'normalized_wyckoff': {'a': {'X_0': 1}}},
- {'AFLOW prototype label': 'A_oF128_70_4h',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_oF128_70_4h.html',
+ {'aflow_prototype_id': 'A_oF128_70_4h',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_oF128_70_4h.html',
'Notes': '-',
'Pearsons Symbol': 'oF128',
'Prototype': 'S (alpha)',
@@ -4416,8 +4416,8 @@ structure_types_by_spacegroup = {
[5.2185e-10, 0.0, 1.21845e-09],
[5.2185e-10, 6.4225e-10, 0.0]],
'normalized_wyckoff': {'h': {'X_0': 1}}},
- {'AFLOW prototype label': 'A2B_oF24_70_e_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_oF24_70_e_a.html',
+ {'aflow_prototype_id': 'A2B_oF24_70_e_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_oF24_70_e_a.html',
'Notes': '-',
'Pearsons Symbol': 'oF24',
'Prototype': 'Si2Ti',
@@ -4439,8 +4439,8 @@ structure_types_by_spacegroup = {
'lattice_vectors': [[0.0, 2.4e-10, 4.27525e-10],
[4.1335499999999996e-10, 0.0, 4.27525e-10],
[4.1335499999999996e-10, 2.4e-10, 0.0]]}],
- 71: [{'AFLOW prototype label': 'AB2_oI6_71_a_g',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB2_oI6_71_a_g.html',
+ 71: [{'aflow_prototype_id': 'AB2_oI6_71_a_g',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2_oI6_71_a_g.html',
'Notes': '-',
'Pearsons Symbol': 'oI6',
'Prototype': 'MoPt2',
@@ -4455,8 +4455,8 @@ structure_types_by_spacegroup = {
'lattice_vectors': [[2.7650000000000003e-10, 0.0, 0.0],
[0.0, 8.296e-10, 0.0],
[1.3825000000000001e-10, 4.148e-10, 1.969e-10]]},
- {'AFLOW prototype label': 'AB2_oI6_71_a_i',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB2_oI6_71_a_i.html',
+ {'aflow_prototype_id': 'AB2_oI6_71_a_i',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2_oI6_71_a_i.html',
'Notes': '-',
'Pearsons Symbol': 'oI6',
'Prototype': 'ReSi2',
@@ -4471,8 +4471,8 @@ structure_types_by_spacegroup = {
'lattice_vectors': [[-1.564e-10, 1.572e-10, 3.8385e-10],
[1.564e-10, -1.572e-10, 3.8385e-10],
[1.564e-10, 1.572e-10, -3.8385e-10]]}],
- 72: [{'AFLOW prototype label': 'A2B_oI12_72_j_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_oI12_72_j_a.html',
+ 72: [{'aflow_prototype_id': 'A2B_oI12_72_j_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_oI12_72_j_a.html',
'Notes': '-',
'Pearsons Symbol': 'oI12',
'Prototype': 'S2Si',
@@ -4499,8 +4499,8 @@ structure_types_by_spacegroup = {
[4.7725e-10, -2.7820000000000003e-10, 2.776e-10],
[4.7725e-10, 2.7820000000000003e-10, -2.776e-10]],
'normalized_wyckoff': {'a': {'X_1': 1}, 'j': {'X_0': 2}}}],
- 82: [{'AFLOW prototype label': 'A2BC4_tI14_82_bc_a_g',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2BC4_tI14_82_bc_a_g.html',
+ 82: [{'aflow_prototype_id': 'A2BC4_tI14_82_bc_a_g',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2BC4_tI14_82_bc_a_g.html',
'Notes': '-',
'Pearsons Symbol': 'tI14',
'Prototype': 'Al2CdS4',
@@ -4535,8 +4535,8 @@ structure_types_by_spacegroup = {
'b': {'X_1': 1},
'd': {'X_1': 1},
'g': {'X_0': 4}}},
- {'AFLOW prototype label': 'AB4C_tI12_82_c_g_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB4C_tI12_82_c_g_a.html',
+ {'aflow_prototype_id': 'AB4C_tI12_82_c_g_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB4C_tI12_82_c_g_a.html',
'Notes': '-',
'Pearsons Symbol': 'tI12',
'Prototype': 'BO4P',
@@ -4563,8 +4563,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_1': 1},
'd': {'X_2': 1},
'g': {'X_0': 4}}}],
- 84: [{'AFLOW prototype label': 'AB_tP16_84_cej_k',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_tP16_84_cej_k.html',
+ 84: [{'aflow_prototype_id': 'AB_tP16_84_cej_k',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_tP16_84_cej_k.html',
'Notes': '-',
'Pearsons Symbol': 'tP16',
'Prototype': 'PdS',
@@ -4635,8 +4635,8 @@ structure_types_by_spacegroup = {
'e': {'X_0': 1},
'j': {'X_0': 2},
'k': {'X_1': 4}}}],
- 87: [{'AFLOW prototype label': 'AB4_tI10_87_a_h',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB4_tI10_87_a_h.html',
+ 87: [{'aflow_prototype_id': 'AB4_tI10_87_a_h',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB4_tI10_87_a_h.html',
'Notes': '-',
'Pearsons Symbol': 'tI10',
'Prototype': 'MoNi4',
@@ -4654,8 +4654,8 @@ structure_types_by_spacegroup = {
[0.0, 5.72e-10, 0.0],
[2.86e-10, 2.86e-10, 1.7820000000000002e-10]],
'normalized_wyckoff': {'a': {'X_1': 1}, 'h': {'X_0': 4}}},
- {'AFLOW prototype label': 'A4B5_tI18_87_h_ah',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A4B5_tI18_87_h_ah.html',
+ {'aflow_prototype_id': 'A4B5_tI18_87_h_ah',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A4B5_tI18_87_h_ah.html',
'Notes': '-',
'Pearsons Symbol': 'tI18',
'Prototype': 'Te4Ti5',
@@ -4677,8 +4677,8 @@ structure_types_by_spacegroup = {
[5.082e-10, -5.082e-10, 1.886e-10],
[5.082e-10, 5.082e-10, -1.886e-10]],
'normalized_wyckoff': {'a': {'X_0': 1}, 'h': {'X_0': 4, 'X_1': 4}}}],
- 92: [{'AFLOW prototype label': 'A2B_tP12_92_b_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_tP12_92_b_a.html',
+ 92: [{'aflow_prototype_id': 'A2B_tP12_92_b_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_tP12_92_b_a.html',
'Notes': 'alpha cristobalite',
'Pearsons Symbol': 'tP12',
'Prototype': 'O2Si',
@@ -4732,8 +4732,8 @@ structure_types_by_spacegroup = {
[0.0, 4.957e-10, 0.0],
[0.0, 0.0, 6.8903e-10]],
'normalized_wyckoff': {'a': {'X_1': 1}, 'b': {'X_0': 2}}}],
- 96: [{'AFLOW prototype label': 'A2B_tP36_96_3b_ab',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_tP36_96_3b_ab.html',
+ 96: [{'aflow_prototype_id': 'A2B_tP36_96_3b_ab',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_tP36_96_3b_ab.html',
'Notes': 'keatite',
'Pearsons Symbol': 'tP36',
'Prototype': 'O2Si',
@@ -4867,8 +4867,8 @@ structure_types_by_spacegroup = {
[0.0, 7.464e-10, 0.0],
[0.0, 0.0, 8.62e-10]],
'normalized_wyckoff': {'a': {'X_1': 1}, 'b': {'X_0': 6, 'X_1': 2}}},
- {'AFLOW prototype label': 'A_tP12_96_ab',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_tP12_96_ab.html',
+ {'aflow_prototype_id': 'A_tP12_96_ab',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_tP12_96_ab.html',
'Notes': 'st12',
'Pearsons Symbol': 'tP12',
'Prototype': 'Si',
@@ -4926,8 +4926,8 @@ structure_types_by_spacegroup = {
[0.0, 5.51889083e-10, 0.0],
[0.0, 0.0, 6.95380245e-10]],
'normalized_wyckoff': {'a': {'X_0': 1}, 'b': {'X_0': 2}}}],
- 99: [{'AFLOW prototype label': 'A3BC_tP5_99_bc_a_b',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A3BC_tP5_99_bc_a_b.html',
+ 99: [{'aflow_prototype_id': 'A3BC_tP5_99_bc_a_b',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A3BC_tP5_99_bc_a_b.html',
'Notes': 'tetragonal PZT (x<0.52)',
'Pearsons Symbol': 'tP5',
'Prototype': 'O3PbTi1-xZrx',
@@ -4947,8 +4947,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_1': 1},
'b': {'X_0': 1, 'X_2': 1},
'c': {'X_0': 2}}}],
- 113: [{'AFLOW prototype label': 'AB3_tP8_113_a_ce',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB3_tP8_113_a_ce.html',
+ 113: [{'aflow_prototype_id': 'AB3_tP8_113_a_ce',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB3_tP8_113_a_ce.html',
'Notes': '-',
'Pearsons Symbol': 'tP8',
'Prototype': 'BaS3',
@@ -4977,8 +4977,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_1': 1},
'c': {'X_0': 1},
'e': {'X_0': 2}}}],
- 121: [{'AFLOW prototype label': 'A2BC4D_tI16_121_d_a_i_b',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2BC4D_tI16_121_d_a_i_b.html',
+ 121: [{'aflow_prototype_id': 'A2BC4D_tI16_121_d_a_i_b',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2BC4D_tI16_121_d_a_i_b.html',
'Notes': 'stannite',
'Pearsons Symbol': 'tI16',
'Prototype': 'Cu2FeS4Sn',
@@ -5006,8 +5006,8 @@ structure_types_by_spacegroup = {
'b': {'X_3': 1},
'd': {'X_1': 2},
'i': {'X_0': 4}}}],
- 122: [{'AFLOW prototype label': 'ABC2_tI16_122_a_b_d',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/ABC2_tI16_122_a_b_d.html',
+ 122: [{'aflow_prototype_id': 'ABC2_tI16_122_a_b_d',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/ABC2_tI16_122_a_b_d.html',
'Notes': 'chalcopyrite',
'Pearsons Symbol': 'tI16',
'Prototype': 'CuFeS2',
@@ -5038,8 +5038,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_1': 1},
'b': {'X_2': 1},
'd': {'X_0': 2}}}],
- 123: [{'AFLOW prototype label': 'AB_tP2_123_a_d',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_tP2_123_a_d.html',
+ 123: [{'aflow_prototype_id': 'AB_tP2_123_a_d',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_tP2_123_a_d.html',
'Notes': '-',
'Pearsons Symbol': 'tP2',
'Prototype': 'AuCu',
@@ -5053,8 +5053,8 @@ structure_types_by_spacegroup = {
[1.9815e-10, 1.9815e-10, 0.0],
[0.0, 0.0, 3.671e-10]],
'normalized_wyckoff': {'a': {'X_0': 1}, 'd': {'X_1': 1}}},
- {'AFLOW prototype label': 'ABC2_tP4_123_d_a_f',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/ABC2_tP4_123_d_a_f.html',
+ {'aflow_prototype_id': 'ABC2_tP4_123_d_a_f',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/ABC2_tP4_123_d_a_f.html',
'Notes': 'prototype for high-Tc cuprates',
'Pearsons Symbol': 'tP4',
'Prototype': 'CaCuO2',
@@ -5075,8 +5075,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'b': {'X_1': 1},
'c': {'X_2': 1},
'e': {'X_0': 2}}},
- {'AFLOW prototype label': 'AB5C_tP7_123_b_ci_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB5C_tP7_123_b_ci_a.html',
+ {'aflow_prototype_id': 'AB5C_tP7_123_b_ci_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB5C_tP7_123_b_ci_a.html',
'Notes': '-',
'Pearsons Symbol': 'tP7',
'Prototype': 'CoGa5Ho',
@@ -5099,8 +5099,8 @@ structure_types_by_spacegroup = {
'b': {'X_2': 1},
'c': {'X_0': 1},
'i': {'X_0': 4}}},
- {'AFLOW prototype label': 'AB3_tP4_123_a_ce',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB3_tP4_123_a_ce.html',
+ {'aflow_prototype_id': 'AB3_tP4_123_a_ce',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB3_tP4_123_a_ce.html',
'Notes': '-',
'Pearsons Symbol': 'tP4',
'Prototype': 'CuTi3',
@@ -5121,8 +5121,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_1': 1},
'c': {'X_0': 1},
'e': {'X_0': 2}}}],
- 127: [{'AFLOW prototype label': 'A2B3_tP10_127_g_ah',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B3_tP10_127_g_ah.html',
+ 127: [{'aflow_prototype_id': 'A2B3_tP10_127_g_ah',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B3_tP10_127_g_ah.html',
'Notes': '-',
'Pearsons Symbol': 'tP10',
'Prototype': 'Si2U3',
@@ -5166,8 +5166,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'b': {'X_0': 1},
'g': {'X_0': 2},
'h': {'X_1': 2}}}],
- 129: [{'AFLOW prototype label': 'ABCD_tP8_129_c_b_a_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/ABCD_tP8_129_c_b_a_c.html',
+ 129: [{'aflow_prototype_id': 'ABCD_tP8_129_c_b_a_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/ABCD_tP8_129_c_b_a_c.html',
'Notes': '-',
'Pearsons Symbol': 'tP8',
'Prototype': 'AsCuSiZr',
@@ -5187,8 +5187,8 @@ structure_types_by_spacegroup = {
'lattice_vectors': [[3.6736e-10, 0.0, 0.0],
[0.0, 3.6736e-10, 0.0],
[0.0, 0.0, 9.5712e-10]]},
- {'AFLOW prototype label': 'ABC_tP6_129_c_a_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/ABC_tP6_129_c_a_c.html',
+ {'aflow_prototype_id': 'ABC_tP6_129_c_a_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/ABC_tP6_129_c_a_c.html',
'Notes': 'matlockite',
'Pearsons Symbol': 'tP6',
'Prototype': 'ClFPb',
@@ -5210,8 +5210,8 @@ structure_types_by_spacegroup = {
'lattice_vectors': [[4.11e-10, 0.0, 0.0],
[0.0, 4.11e-10, 0.0],
[0.0, 0.0, 7.246e-10]]},
- {'AFLOW prototype label': 'A2B_tP6_129_ac_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_tP6_129_ac_c.html',
+ {'aflow_prototype_id': 'A2B_tP6_129_ac_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_tP6_129_ac_c.html',
'Notes': '-',
'Pearsons Symbol': 'tP6',
'Prototype': 'Cu2Sb',
@@ -5233,8 +5233,8 @@ structure_types_by_spacegroup = {
'lattice_vectors': [[3.9920000000000003e-10, 0.0, 0.0],
[0.0, 3.9920000000000003e-10, 0.0],
[0.0, 0.0, 6.091e-10]]},
- {'AFLOW prototype label': 'AB_tP4_129_a_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_tP4_129_a_c.html',
+ {'aflow_prototype_id': 'AB_tP4_129_a_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_tP4_129_a_c.html',
'Notes': '-',
'Pearsons Symbol': 'tP4',
'Prototype': 'CuTi (gamma)',
@@ -5250,8 +5250,8 @@ structure_types_by_spacegroup = {
'lattice_vectors': [[3.108e-10, 0.0, 0.0],
[0.0, 3.108e-10, 0.0],
[0.0, 0.0, 5.886999999999999e-10]]},
- {'AFLOW prototype label': 'A_tP4_129_ac',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_tP4_129_ac.html',
+ {'aflow_prototype_id': 'A_tP4_129_ac',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_tP4_129_ac.html',
'Notes': '-',
'Pearsons Symbol': 'tP4',
'Prototype': 'Np (beta)',
@@ -5269,8 +5269,8 @@ structure_types_by_spacegroup = {
'lattice_vectors': [[4.897000000000001e-10, 0.0, 0.0],
[0.0, 4.897000000000001e-10, 0.0],
[0.0, 0.0, 3.388e-10]]},
- {'AFLOW prototype label': 'AB_tP4_129_a_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_tP4_129_a_c.html',
+ {'aflow_prototype_id': 'AB_tP4_129_a_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_tP4_129_a_c.html',
'Notes': '-',
'Pearsons Symbol': 'tP4',
'Prototype': 'OPb',
@@ -5286,8 +5286,8 @@ structure_types_by_spacegroup = {
'lattice_vectors': [[3.9998e-10, 0.0, 0.0],
[0.0, 3.9998e-10, 0.0],
[0.0, 0.0, 5.065400000000001e-10]]}],
- 131: [{'AFLOW prototype label': 'AB_tP4_131_c_e',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_tP4_131_c_e.html',
+ 131: [{'aflow_prototype_id': 'AB_tP4_131_c_e',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_tP4_131_c_e.html',
'Notes': '-',
'Pearsons Symbol': 'tP4',
'Prototype': 'PtS',
@@ -5304,8 +5304,8 @@ structure_types_by_spacegroup = {
[0.0, 3.4701e-10, 0.0],
[0.0, 0.0, 6.109200000000001e-10]],
'normalized_wyckoff': {'c': {'X_0': 1}, 'e': {'X_1': 1}}}],
- 134: [{'AFLOW prototype label': 'A_tP50_134_b2m2n',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_tP50_134_b2m2n.html',
+ 134: [{'aflow_prototype_id': 'A_tP50_134_b2m2n',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_tP50_134_b2m2n.html',
'Notes': '-',
'Pearsons Symbol': 'tP50',
'Prototype': 'B',
@@ -5476,8 +5476,8 @@ structure_types_by_spacegroup = {
'lattice_vectors': [[8.756000000000001e-10, 0.0, 0.0],
[0.0, 8.756000000000001e-10, 0.0],
[0.0, 0.0, 5.078e-10]]}],
- 136: [{'AFLOW prototype label': 'AB_tP8_136_g_f',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_tP8_136_g_f.html',
+ 136: [{'aflow_prototype_id': 'AB_tP8_136_g_f',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_tP8_136_g_f.html',
'Notes': '-',
'Pearsons Symbol': 'tP8',
'Prototype': 'BeO (beta)',
@@ -5498,8 +5498,8 @@ structure_types_by_spacegroup = {
[0.0, 4.75e-10, 0.0],
[0.0, 0.0, 2.74e-10]],
'normalized_wyckoff': {'f': {'X_0': 1}, 'g': {'X_1': 1}}},
- {'AFLOW prototype label': 'sigma_tP30_136_bf2ij',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/sigma_tP30_136_bf2ij.html',
+ {'aflow_prototype_id': 'sigma_tP30_136_bf2ij',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/sigma_tP30_136_bf2ij.html',
'Notes': '-',
'Pearsons Symbol': 'tP30',
'Prototype': 'CrFe (sigma)',
@@ -5618,8 +5618,8 @@ structure_types_by_spacegroup = {
'f': {'X_3': 2},
'i': {'X_0': 4, 'X_1': 4},
'j': {'X_2': 4}}},
- {'AFLOW prototype label': 'A_tP4_136_f',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_tP4_136_f.html',
+ {'aflow_prototype_id': 'A_tP4_136_f',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_tP4_136_f.html',
'Notes': 'gamma N2',
'Pearsons Symbol': 'tP4',
'Prototype': 'N (gamma)',
@@ -5640,8 +5640,8 @@ structure_types_by_spacegroup = {
[0.0, 3.957e-10, 0.0],
[0.0, 0.0, 5.109000000000001e-10]],
'normalized_wyckoff': {'f': {'X_0': 1}}},
- {'AFLOW prototype label': 'A2B_tP6_136_f_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_tP6_136_f_a.html',
+ {'aflow_prototype_id': 'A2B_tP6_136_f_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_tP6_136_f_a.html',
'Notes': 'rutile',
'Pearsons Symbol': 'tP6',
'Prototype': 'O2Ti',
@@ -5668,8 +5668,8 @@ structure_types_by_spacegroup = {
[0.0, 4.5922e-10, 0.0],
[0.0, 0.0, 2.9574e-10]],
'normalized_wyckoff': {'a': {'X_1': 1}, 'f': {'X_0': 2}}},
- {'AFLOW prototype label': 'A_tP30_136_bf2ij',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_tP30_136_bf2ij.html',
+ {'aflow_prototype_id': 'A_tP30_136_bf2ij',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_tP30_136_bf2ij.html',
'Notes': '-',
'Pearsons Symbol': 'tP30',
'Prototype': 'U (beta)',
@@ -5748,8 +5748,8 @@ structure_types_by_spacegroup = {
'f': {'X_0': 2},
'i': {'X_0': 8},
'j': {'X_0': 4}}}],
- 139: [{'AFLOW prototype label': 'A4B_tI10_139_de_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A4B_tI10_139_de_a.html',
+ 139: [{'aflow_prototype_id': 'A4B_tI10_139_de_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A4B_tI10_139_de_a.html',
'Notes': '-',
'Pearsons Symbol': 'tI10',
'Prototype': 'Al4Ba',
@@ -5769,8 +5769,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_1': 1},
'd': {'X_0': 2},
'e': {'X_0': 2}}},
- {'AFLOW prototype label': 'A3B_tI8_139_bd_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A3B_tI8_139_bd_a.html',
+ {'aflow_prototype_id': 'A3B_tI8_139_bd_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A3B_tI8_139_bd_a.html',
'Notes': '-',
'Pearsons Symbol': 'tI8',
'Prototype': 'Al3Ti',
@@ -5789,8 +5789,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_1': 1},
'b': {'X_0': 1},
'd': {'X_0': 2}}},
- {'AFLOW prototype label': 'A3B_tI16_139_cde_e',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A3B_tI16_139_cde_e.html',
+ {'aflow_prototype_id': 'A3B_tI16_139_cde_e',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A3B_tI16_139_cde_e.html',
'Notes': '-',
'Pearsons Symbol': 'tI16',
'Prototype': 'Al3Zr',
@@ -5817,8 +5817,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'c': {'X_0': 1},
'd': {'X_0': 1},
'e': {'X_0': 1, 'X_1': 1}}},
- {'AFLOW prototype label': 'AB2C4_tI14_139_a_e_ce',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB2C4_tI14_139_a_e_ce.html',
+ {'aflow_prototype_id': 'AB2C4_tI14_139_a_e_ce',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2C4_tI14_139_a_e_ce.html',
'Notes': '-',
'Pearsons Symbol': 'tI14',
'Prototype': '(Ba,La)2CuO4',
@@ -5844,8 +5844,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_2': 1},
'c': {'X_0': 2},
'e': {'X_0': 2, 'X_1': 2}}},
- {'AFLOW prototype label': 'A_tI8_139_h',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_tI8_139_h.html',
+ {'aflow_prototype_id': 'A_tI8_139_h',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_tI8_139_h.html',
'Notes': '4-member ring',
'Pearsons Symbol': 'tI8',
'Prototype': 'C (4-ring)',
@@ -5862,8 +5862,8 @@ structure_types_by_spacegroup = {
[0.0, 4.33184e-10, 0.0],
[2.16592e-10, 2.16592e-10, 1.24346e-10]],
'normalized_wyckoff': {'h': {'X_0': 1}}},
- {'AFLOW prototype label': 'A2B_tI6_139_d_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_tI6_139_d_a.html',
+ {'aflow_prototype_id': 'A2B_tI6_139_d_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_tI6_139_d_a.html',
'Notes': '-',
'Pearsons Symbol': 'tI6',
'Prototype': 'H2Th',
@@ -5879,8 +5879,8 @@ structure_types_by_spacegroup = {
[0.0, 4.1e-10, 0.0],
[2.05e-10, 2.05e-10, 2.515e-10]],
'normalized_wyckoff': {'a': {'X_1': 1}, 'd': {'X_0': 2}}},
- {'AFLOW prototype label': 'A_tI2_139_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_tI2_139_a.html',
+ {'aflow_prototype_id': 'A_tI2_139_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_tI2_139_a.html',
'Notes': 'fct',
'Pearsons Symbol': 'tI2',
'Prototype': 'In',
@@ -5896,8 +5896,8 @@ structure_types_by_spacegroup = {
1.6256384900000002e-10,
2.4735000000000003e-10]],
'normalized_wyckoff': {'a': {'X_0': 1}}},
- {'AFLOW prototype label': 'A12B_tI26_139_fij_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A12B_tI26_139_fij_a.html',
+ {'aflow_prototype_id': 'A12B_tI26_139_fij_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A12B_tI26_139_fij_a.html',
'Notes': '-',
'Pearsons Symbol': 'tI26',
'Prototype': 'Mn12Th',
@@ -5950,8 +5950,8 @@ structure_types_by_spacegroup = {
'f': {'X_0': 4},
'i': {'X_0': 4},
'j': {'X_0': 4}}},
- {'AFLOW prototype label': 'AB2_tI6_139_a_e',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB2_tI6_139_a_e.html',
+ {'aflow_prototype_id': 'AB2_tI6_139_a_e',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2_tI6_139_a_e.html',
'Notes': '-',
'Pearsons Symbol': 'tI6',
'Prototype': 'MoSi2',
@@ -5971,8 +5971,8 @@ structure_types_by_spacegroup = {
[0.0, 3.203e-10, 0.0],
[1.6015e-10, 1.6015e-10, 3.9275e-10]],
'normalized_wyckoff': {'a': {'X_1': 1}, 'e': {'X_0': 2}}},
- {'AFLOW prototype label': 'A4B5_tI18_139_i_ah',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A4B5_tI18_139_i_ah.html',
+ {'aflow_prototype_id': 'A4B5_tI18_139_i_ah',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A4B5_tI18_139_i_ah.html',
'Notes': '-',
'Pearsons Symbol': 'tI18',
'Prototype': 'NbNi8',
@@ -6004,8 +6004,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_1': 1},
'h': {'X_0': 4},
'i': {'X_0': 4}}},
- {'AFLOW prototype label': 'A_tI2_139_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_tI2_139_a.html',
+ {'aflow_prototype_id': 'A_tI2_139_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_tI2_139_a.html',
'Notes': 'bct',
'Pearsons Symbol': 'tI2',
'Prototype': 'Pa (alpha)',
@@ -6019,8 +6019,8 @@ structure_types_by_spacegroup = {
[0.0, 3.925e-10, 0.0],
[1.9625e-10, 1.9625e-10, 1.619e-10]],
'normalized_wyckoff': {'a': {'X_0': 1}}},
- {'AFLOW prototype label': 'A_tI4_139_e',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_tI4_139_e.html',
+ {'aflow_prototype_id': 'A_tI4_139_e',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_tI4_139_e.html',
'Notes': 'bct5',
'Pearsons Symbol': 'tI4',
'Prototype': 'Si',
@@ -6041,8 +6041,8 @@ structure_types_by_spacegroup = {
1.674581275665e-10,
-3.252323122212e-10]],
'normalized_wyckoff': {'e': {'X_0': 1}}},
- {'AFLOW prototype label': 'A4B5_tI18_139_i_ah',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A4B5_tI18_139_i_ah.html',
+ {'aflow_prototype_id': 'A4B5_tI18_139_i_ah',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A4B5_tI18_139_i_ah.html',
'Notes': '-',
'Pearsons Symbol': 'tI18',
'Prototype': 'V4Zn5',
@@ -6074,8 +6074,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_0': 1},
'h': {'X_0': 4},
'i': {'X_1': 4}}}],
- 140: [{'AFLOW prototype label': 'A2B_tI12_140_h_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_tI12_140_h_a.html',
+ 140: [{'aflow_prototype_id': 'A2B_tI12_140_h_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_tI12_140_h_a.html',
'Notes': '-',
'Pearsons Symbol': 'tI12',
'Prototype': 'Al2Cu',
@@ -6094,8 +6094,8 @@ structure_types_by_spacegroup = {
[0.0, 6.04e-10, 0.0],
[3.02e-10, 3.02e-10, 2.43e-10]],
'normalized_wyckoff': {'a': {'X_1': 1}, 'h': {'X_0': 2}}},
- {'AFLOW prototype label': 'AB3_tI16_140_b_ah',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB3_tI16_140_b_ah.html',
+ {'aflow_prototype_id': 'AB3_tI16_140_b_ah',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB3_tI16_140_b_ah.html',
'Notes': '-',
'Pearsons Symbol': 'tI16',
'Prototype': 'Ir3Si',
@@ -6118,8 +6118,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_1': 1},
'b': {'X_0': 1},
'h': {'X_0': 2}}},
- {'AFLOW prototype label': 'AB_tI16_140_ab_h',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_tI16_140_ab_h.html',
+ {'aflow_prototype_id': 'AB_tI16_140_ab_h',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_tI16_140_ab_h.html',
'Notes': 'AlKTe2',
'Pearsons Symbol': 'tI16',
'Prototype': 'SeTl',
@@ -6142,8 +6142,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_1': 1},
'b': {'X_2': 1},
'h': {'X_0': 2}}},
- {'AFLOW prototype label': 'AB3_tI16_140_b_ah',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB3_tI16_140_b_ah.html',
+ {'aflow_prototype_id': 'AB3_tI16_140_b_ah',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB3_tI16_140_b_ah.html',
'Notes': '-',
'Pearsons Symbol': 'tI16',
'Prototype': 'SiU3',
@@ -6178,8 +6178,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_0': 1},
'b': {'X_1': 1},
'h': {'X_0': 2}}}],
- 141: [{'AFLOW prototype label': 'AB_tI16_141_e_e',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_tI16_141_e_e.html',
+ 141: [{'aflow_prototype_id': 'AB_tI16_141_e_e',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_tI16_141_e_e.html',
'Notes': '-',
'Pearsons Symbol': 'tI16',
'Prototype': 'BMo',
@@ -6199,8 +6199,8 @@ structure_types_by_spacegroup = {
'lattice_vectors': [[3.105e-10, 0.0, 0.0],
[0.0, 3.105e-10, 0.0],
[1.5525e-10, 1.5525e-10, 8.485e-10]]},
- {'AFLOW prototype label': 'A2B_tI24_141_2e_e',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_tI24_141_2e_e.html',
+ {'aflow_prototype_id': 'A2B_tI24_141_2e_e',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_tI24_141_2e_e.html',
'Notes': '-',
'Pearsons Symbol': 'tI24',
'Prototype': 'Ga2Hf',
@@ -6257,8 +6257,8 @@ structure_types_by_spacegroup = {
'lattice_vectors': [[-2.023e-10, 2.023e-10, 1.2723e-09],
[2.023e-10, -2.023e-10, 1.2723e-09],
[2.023e-10, 2.023e-10, -1.2723e-09]]},
- {'AFLOW prototype label': 'A2B3_tI80_141_ceh_3h',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B3_tI80_141_ceh_3h.html',
+ {'aflow_prototype_id': 'A2B3_tI80_141_ceh_3h',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B3_tI80_141_ceh_3h.html',
'Notes': 'ordered defect spinel',
'Pearsons Symbol': 'tI80',
'Prototype': 'In2S3 (beta)',
@@ -6381,8 +6381,8 @@ structure_types_by_spacegroup = {
[3.8086e-10,
3.8086e-10,
1.6165350000000001e-09]]},
- {'AFLOW prototype label': 'A3B4_tI28_141_ad_h',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A3B4_tI28_141_ad_h.html',
+ {'aflow_prototype_id': 'A3B4_tI28_141_ad_h',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A3B4_tI28_141_ad_h.html',
'Notes': '-',
'Pearsons Symbol': 'tI28',
'Prototype': 'Mn3O4',
@@ -6424,8 +6424,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_1': 1},
'd': {'X_1': 2},
'h': {'X_0': 4}}},
- {'AFLOW prototype label': 'AB_tI8_141_a_b',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_tI8_141_a_b.html',
+ {'aflow_prototype_id': 'AB_tI8_141_a_b',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_tI8_141_a_b.html',
'Notes': '40',
'Pearsons Symbol': 'tI8',
'Prototype': 'NbP',
@@ -6448,8 +6448,8 @@ structure_types_by_spacegroup = {
[0.0, 3.325e-10, 0.0],
[1.6625e-10, 1.6625e-10, 5.69e-10]],
'normalized_wyckoff': {'a': {'X_0': 1}, 'b': {'X_1': 1}}},
- {'AFLOW prototype label': 'A4BC_tI24_141_h_b_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A4BC_tI24_141_h_b_a.html',
+ {'aflow_prototype_id': 'A4BC_tI24_141_h_b_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A4BC_tI24_141_h_b_a.html',
'Notes': 'zircon',
'Pearsons Symbol': 'tI24',
'Prototype': 'O4SiZr',
@@ -6499,8 +6499,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_1': 1},
'b': {'X_2': 1},
'h': {'X_0': 4}}},
- {'AFLOW prototype label': 'A2B_tI12_141_e_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_tI12_141_e_a.html',
+ {'aflow_prototype_id': 'A2B_tI12_141_e_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_tI12_141_e_a.html',
'Notes': 'anatase',
'Pearsons Symbol': 'tI12',
'Prototype': 'O2Ti',
@@ -6528,8 +6528,8 @@ structure_types_by_spacegroup = {
'lattice_vectors': [[-1.8925e-10, 1.8925e-10, 4.757e-10],
[1.8925e-10, -1.8925e-10, 4.757e-10],
[1.8925e-10, 1.8925e-10, -4.757e-10]]},
- {'AFLOW prototype label': 'A_tI4_141_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_tI4_141_a.html',
+ {'aflow_prototype_id': 'A_tI4_141_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_tI4_141_a.html',
'Notes': 'white (beta) tin',
'Pearsons Symbol': 'tI4',
'Prototype': 'Sn',
@@ -6544,8 +6544,8 @@ structure_types_by_spacegroup = {
[0.0, 5.832e-10, 0.0],
[2.916e-10, 2.916e-10, 1.5906000000000002e-10]],
'normalized_wyckoff': {'a': {'X_0': 1}}}],
- 142: [{'AFLOW prototype label': 'ABC4_tI96_142_e_ab_2g',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/ABC4_tI96_142_e_ab_2g.html',
+ 142: [{'aflow_prototype_id': 'ABC4_tI96_142_e_ab_2g',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/ABC4_tI96_142_e_ab_2g.html',
'Notes': '-',
'Pearsons Symbol': 'tI96',
'Prototype': 'PPrS4',
@@ -6700,8 +6700,8 @@ structure_types_by_spacegroup = {
'lattice_vectors': [[1.0914e-09, 0.0, 0.0],
[0.0, 1.0914e-09, 0.0],
[5.457e-10, 5.457e-10, 9.6805e-10]]}],
- 147: [{'AFLOW prototype label': 'A2B_hP9_147_g_ad',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_hP9_147_g_ad.html',
+ 147: [{'aflow_prototype_id': 'A2B_hP9_147_g_ad',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_hP9_147_g_ad.html',
'Notes': '-',
'Pearsons Symbol': 'hP9',
'Prototype': 'AgZn (eta)',
@@ -6749,8 +6749,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_1': 1},
'd': {'X_1': 2},
'g': {'X_0': 6}}}],
- 148: [{'AFLOW prototype label': 'AB_hR26_148_b2f_a2f',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_hR26_148_b2f_a2f.html',
+ 148: [{'aflow_prototype_id': 'AB_hR26_148_b2f_a2f',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_hR26_148_b2f_a2f.html',
'Notes': '-',
'Pearsons Symbol': 'hR26',
'Prototype': 'AlPd',
@@ -6846,8 +6846,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_0': 1},
'b': {'X_1': 1},
'f': {'X_0': 12, 'X_1': 12}}},
- {'AFLOW prototype label': 'AB3_hR8_148_c_f',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB3_hR8_148_c_f.html',
+ {'aflow_prototype_id': 'AB3_hR8_148_c_f',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB3_hR8_148_c_f.html',
'Notes': '-',
'Pearsons Symbol': 'hR8',
'Prototype': 'BiI3',
@@ -6880,8 +6880,8 @@ structure_types_by_spacegroup = {
-2.16398287e-10,
6.89407807e-10]],
'normalized_wyckoff': {'c': {'X_1': 1}, 'f': {'X_0': 3}}},
- {'AFLOW prototype label': 'AB_hR16_148_cf_cf',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_hR16_148_cf_cf.html',
+ {'aflow_prototype_id': 'AB_hR16_148_cf_cf',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_hR16_148_cf_cf.html',
'Notes': 'solid cubane',
'Pearsons Symbol': 'hR16',
'Prototype': 'C8H8',
@@ -6954,8 +6954,8 @@ structure_types_by_spacegroup = {
3.91121876e-10]],
'normalized_wyckoff': {'c': {'X_0': 1, 'X_1': 1},
'f': {'X_0': 3, 'X_1': 3}}},
- {'AFLOW prototype label': 'AB3C_hR10_148_c_f_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB3C_hR10_148_c_f_c.html',
+ {'aflow_prototype_id': 'AB3C_hR10_148_c_f_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB3C_hR10_148_c_f_c.html',
'Notes': 'ilmenite',
'Pearsons Symbol': 'hR10',
'Prototype': 'FeO3Ti',
@@ -6999,8 +6999,8 @@ structure_types_by_spacegroup = {
[-2.5435793e-10, -1.4685362e-10, 4.6950026e-10],
[2.5435793e-10, -1.4685362e-10, 4.6950026e-10]],
'normalized_wyckoff': {'c': {'X_1': 1, 'X_2': 1}, 'f': {'X_0': 3}}}],
- 150: [{'AFLOW prototype label': 'A2B_hP9_150_ef_bd',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_hP9_150_ef_bd.html',
+ 150: [{'aflow_prototype_id': 'A2B_hP9_150_ef_bd',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_hP9_150_ef_bd.html',
'Notes': 'original structure',
'Pearsons Symbol': 'hP9',
'Prototype': 'Fe2P',
@@ -7033,8 +7033,8 @@ structure_types_by_spacegroup = {
'lattice_vectors': [[2.9385e-10, -5.08963129804115e-10, 0.0],
[2.9385e-10, 5.08963129804115e-10, 0.0],
[0.0, 0.0, 3.437e-10]]}],
- 151: [{'AFLOW prototype label': 'A3B_hP24_151_3c_2a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A3B_hP24_151_3c_2a.html',
+ 151: [{'aflow_prototype_id': 'A3B_hP24_151_3c_2a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A3B_hP24_151_3c_2a.html',
'Notes': '-',
'Pearsons Symbol': 'hP24',
'Prototype': 'CrCl3',
@@ -7122,8 +7122,8 @@ structure_types_by_spacegroup = {
[3e-10, 5.19615242e-10, 0.0],
[0.0, 0.0, 1.7300000000000002e-09]],
'normalized_wyckoff': {'a': {'X_1': 1}, 'c': {'X_0': 3}}}],
- 152: [{'AFLOW prototype label': 'A_hP3_152_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_hP3_152_a.html',
+ 152: [{'aflow_prototype_id': 'A_hP3_152_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_hP3_152_a.html',
'Notes': '-',
'Pearsons Symbol': 'hP3',
'Prototype': 'Se (gamma)',
@@ -7139,8 +7139,8 @@ structure_types_by_spacegroup = {
[1.9050000000000001e-10, 3.29955679e-10, 0.0],
[0.0, 0.0, 5.110000000000001e-10]],
'normalized_wyckoff': {'a': {'X_0': 1}}},
- {'AFLOW prototype label': 'A2B_hP9_152_c_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_hP9_152_c_a.html',
+ {'aflow_prototype_id': 'A2B_hP9_152_c_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_hP9_152_c_a.html',
'Notes': 'low quartz',
'Pearsons Symbol': 'hP9',
'Prototype': 'O2Si (alpha)',
@@ -7178,8 +7178,8 @@ structure_types_by_spacegroup = {
[2.457e-10, 4.255648834197e-10, 0.0],
[0.0, 0.0, 5.406e-10]],
'normalized_wyckoff': {'b': {'X_1': 1}, 'c': {'X_0': 2}}}],
- 154: [{'AFLOW prototype label': 'AB_hP6_154_a_b',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_hP6_154_a_b.html',
+ 154: [{'aflow_prototype_id': 'AB_hP6_154_a_b',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_hP6_154_a_b.html',
'Notes': 'cinnabar',
'Pearsons Symbol': 'hP6',
'Prototype': 'HgS',
@@ -7206,8 +7206,8 @@ structure_types_by_spacegroup = {
[2.0725e-10, 3.589675298686e-10, 0.0],
[0.0, 0.0, 9.496e-10]],
'normalized_wyckoff': {'a': {'X_0': 1}, 'b': {'X_1': 1}}}],
- 155: [{'AFLOW prototype label': 'AB3_hR8_155_c_de',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB3_hR8_155_c_de.html',
+ 155: [{'aflow_prototype_id': 'AB3_hR8_155_c_de',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB3_hR8_155_c_de.html',
'Notes': '-',
'Pearsons Symbol': 'hR8',
'Prototype': 'AlF3',
@@ -7242,8 +7242,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'c': {'X_1': 2},
'd': {'X_0': 3},
'e': {'X_0': 3}}},
- {'AFLOW prototype label': 'A3B2_hR5_155_e_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A3B2_hR5_155_e_c.html',
+ {'aflow_prototype_id': 'A3B2_hR5_155_e_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A3B2_hR5_155_e_c.html',
'Notes': '-',
'Pearsons Symbol': 'hR5',
'Prototype': 'Ni3S2',
@@ -7273,8 +7273,8 @@ structure_types_by_spacegroup = {
-1.6543972000000002e-10,
2.3730000000000005e-10]],
'normalized_wyckoff': {'c': {'X_1': 2}, 'e': {'X_0': 3}}}],
- 160: [{'AFLOW prototype label': 'AB_hR6_160_3a_3a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_hR6_160_3a_3a.html',
+ 160: [{'aflow_prototype_id': 'AB_hR6_160_3a_3a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_hR6_160_3a_3a.html',
'Notes': 'moissanite-9R',
'Pearsons Symbol': 'hR6',
'Prototype': 'CSi',
@@ -7306,8 +7306,8 @@ structure_types_by_spacegroup = {
2.61358862369949e-10,
0.0],
[0.0, 0.0, 2.21770348701472e-09]]},
- {'AFLOW prototype label': 'AB_hR6_160_b_b',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_hR6_160_b_b.html',
+ {'aflow_prototype_id': 'AB_hR6_160_b_b',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_hR6_160_b_b.html',
'Notes': '-',
'Pearsons Symbol': 'hR6',
'Prototype': 'NiS',
@@ -7330,8 +7330,8 @@ structure_types_by_spacegroup = {
[0.0, 5.54660404e-10, 1.04766667e-10],
[-4.8035e-10, -2.77330202e-10, 1.04766667e-10]],
'normalized_wyckoff': {'b': {'X_0': 1, 'X_1': 1}}}],
- 161: [{'AFLOW prototype label': 'ABC3_hR10_161_a_a_b',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/ABC3_hR10_161_a_a_b.html',
+ 161: [{'aflow_prototype_id': 'ABC3_hR10_161_a_a_b',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/ABC3_hR10_161_a_a_b.html',
'Notes': 'ferroelectric phase',
'Pearsons Symbol': 'hR10',
'Prototype': 'LiNbO3',
@@ -7375,8 +7375,8 @@ structure_types_by_spacegroup = {
[0.0, 3.033513784376e-10, 4.6253e-10],
[-2.6271e-10, -1.516756892188e-10, 4.6253e-10]],
'normalized_wyckoff': {'a': {'X_1': 1, 'X_2': 1}, 'b': {'X_0': 3}}}],
- 162: [{'AFLOW prototype label': 'AB2_hP9_162_ad_k',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB2_hP9_162_ad_k.html',
+ 162: [{'aflow_prototype_id': 'AB2_hP9_162_ad_k',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2_hP9_162_ad_k.html',
'Notes': '-',
'Pearsons Symbol': 'hP9',
'Prototype': 'NV2 (beta)',
@@ -7414,8 +7414,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_1': 1},
'd': {'X_1': 2},
'k': {'X_0': 6}}}],
- 163: [{'AFLOW prototype label': 'AB2CD2_hP36_163_h_i_bf_i',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB2CD2_hP36_163_h_i_bf_i.html',
+ 163: [{'aflow_prototype_id': 'AB2CD2_hP36_163_h_i_bf_i',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2CD2_hP36_163_h_i_bf_i.html',
'Notes': 'usually written KAg(CN)2',
'Pearsons Symbol': 'hP36',
'Prototype': 'AgC2KN2',
@@ -7556,8 +7556,8 @@ structure_types_by_spacegroup = {
'f': {'X_2': 2},
'h': {'X_3': 3},
'i': {'X_0': 6, 'X_1': 6}}}],
- 164: [{'AFLOW prototype label': 'A3B2_hP5_164_ad_d',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A3B2_hP5_164_ad_d.html',
+ 164: [{'aflow_prototype_id': 'A3B2_hP5_164_ad_d',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A3B2_hP5_164_ad_d.html',
'Notes': '-',
'Pearsons Symbol': 'hP5',
'Prototype': 'Al3Ni2',
@@ -7587,8 +7587,8 @@ structure_types_by_spacegroup = {
0.0],
[0.0, 0.0, 5.161e-10]],
'normalized_wyckoff': {'b': {'X_0': 1}, 'd': {'X_0': 2, 'X_1': 2}}},
- {'AFLOW prototype label': 'AB2_hP3_164_a_d',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB2_hP3_164_a_d.html',
+ {'aflow_prototype_id': 'AB2_hP3_164_a_d',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2_hP3_164_a_d.html',
'Notes': 'omega phase',
'Pearsons Symbol': 'hP3',
'Prototype': 'CrTi',
@@ -7608,8 +7608,8 @@ structure_types_by_spacegroup = {
[2.4e-10, 4.1569219400000005e-10, 0.0],
[0.0, 0.0, 2.928e-10]],
'normalized_wyckoff': {'a': {'X_1': 1}, 'd': {'X_0': 2}}}],
- 165: [{'AFLOW prototype label': 'A3B_hP24_165_adg_f',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A3B_hP24_165_adg_f.html',
+ 165: [{'aflow_prototype_id': 'A3B_hP24_165_adg_f',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A3B_hP24_165_adg_f.html',
'Notes': '-',
'Pearsons Symbol': 'hP24',
'Prototype': 'H3Ho',
@@ -7694,8 +7694,8 @@ structure_types_by_spacegroup = {
'd': {'X_0': 2},
'f': {'X_1': 3},
'g': {'X_0': 6}}}],
- 166: [{'AFLOW prototype label': 'A_hR2_166_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_hR2_166_c.html',
+ 166: [{'aflow_prototype_id': 'A_hR2_166_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_hR2_166_c.html',
'Notes': '-',
'Pearsons Symbol': 'hR2',
'Prototype': 'As (alpha)',
@@ -7718,8 +7718,8 @@ structure_types_by_spacegroup = {
2.9159610300000004e-10,
2.5712604000000002e-11]],
'normalized_wyckoff': {'c': {'X_0': 1}}},
- {'AFLOW prototype label': 'A_hR12_166_2h',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_hR12_166_2h.html',
+ {'aflow_prototype_id': 'A_hR12_166_2h',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_hR12_166_2h.html',
'Notes': '-',
'Pearsons Symbol': 'hR12',
'Prototype': 'B (alpha)',
@@ -7775,8 +7775,8 @@ structure_types_by_spacegroup = {
-1.41739e-10,
4.1900000000000005e-10]],
'normalized_wyckoff': {'h': {'X_0': 1}}},
- {'AFLOW prototype label': 'A_hR105_166_bc9h4i',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_hR105_166_bc9h4i.html',
+ {'aflow_prototype_id': 'A_hR105_166_bc9h4i',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_hR105_166_bc9h4i.html',
'Notes': '-',
'Pearsons Symbol': 'hR105',
'Prototype': 'B (beta)',
@@ -8137,8 +8137,8 @@ structure_types_by_spacegroup = {
[-5.47204349e-10,
-3.15928578e-10,
7.93704469e-10]]},
- {'AFLOW prototype label': 'A5B2_hR7_166_a2c_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A5B2_hR7_166_a2c_c.html',
+ {'aflow_prototype_id': 'A5B2_hR7_166_a2c_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A5B2_hR7_166_a2c_c.html',
'Notes': '-',
'Pearsons Symbol': 'hR7',
'Prototype': 'B5Mo2',
@@ -8164,8 +8164,8 @@ structure_types_by_spacegroup = {
-8.692008300000001e-11,
6.976666670000001e-10]],
'normalized_wyckoff': {'b': {'X_0': 1}, 'c': {'X_0': 4, 'X_1': 2}}},
- {'AFLOW prototype label': 'A2B3_hR5_166_c_ac',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B3_hR5_166_c_ac.html',
+ {'aflow_prototype_id': 'A2B3_hR5_166_c_ac',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B3_hR5_166_c_ac.html',
'Notes': '-',
'Pearsons Symbol': 'hR5',
'Prototype': 'Bi2Te3',
@@ -8187,8 +8187,8 @@ structure_types_by_spacegroup = {
-1.2654075000000002e-10,
1.01623333e-09]],
'normalized_wyckoff': {'a': {'X_0': 1}, 'c': {'X_0': 2, 'X_1': 2}}},
- {'AFLOW prototype label': 'A_hR2_166_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_hR2_166_c.html',
+ {'aflow_prototype_id': 'A_hR2_166_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_hR2_166_c.html',
'Notes': 'rhombohedral graphite',
'Pearsons Symbol': 'hR2',
'Prototype': 'C',
@@ -8203,8 +8203,8 @@ structure_types_by_spacegroup = {
[0.0, 1.41797226112972e-10, 3.348e-10],
[-1.228e-10, -7.0898613056486e-11, 3.348e-10]],
'normalized_wyckoff': {'c': {'X_0': 1}}},
- {'AFLOW prototype label': 'A6B_hR7_166_g_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A6B_hR7_166_g_a.html',
+ {'aflow_prototype_id': 'A6B_hR7_166_g_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A6B_hR7_166_g_a.html',
'Notes': '-',
'Pearsons Symbol': 'hR7',
'Prototype': 'C6Ca',
@@ -8236,8 +8236,8 @@ structure_types_by_spacegroup = {
-1.25084048e-10,
4.5244328300000006e-10]],
'normalized_wyckoff': {'b': {'X_1': 1}, 'f': {'X_0': 6}}},
- {'AFLOW prototype label': 'ABC2_hR4_166_a_b_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/ABC2_hR4_166_a_b_c.html',
+ {'aflow_prototype_id': 'ABC2_hR4_166_a_b_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/ABC2_hR4_166_a_b_c.html',
'Notes': 'caswellsilverite',
'Pearsons Symbol': 'hR4',
'Prototype': 'CrNaS2',
@@ -8260,8 +8260,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_1': 1},
'b': {'X_2': 1},
'c': {'X_0': 2}}},
- {'AFLOW prototype label': 'AB_hR2_166_a_b',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_hR2_166_a_b.html',
+ {'aflow_prototype_id': 'AB_hR2_166_a_b',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_hR2_166_a_b.html',
'Notes': '-',
'Pearsons Symbol': 'hR2',
'Prototype': 'CuPt',
@@ -8275,8 +8275,8 @@ structure_types_by_spacegroup = {
[1.8e-10, 3.7e-10, 1.8e-10],
[1.8e-10, 1.8e-10, 3.7e-10]],
'normalized_wyckoff': {'a': {'X_0': 1}, 'b': {'X_1': 1}}},
- {'AFLOW prototype label': 'A7B6_hR13_166_ah_3c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A7B6_hR13_166_ah_3c.html',
+ {'aflow_prototype_id': 'A7B6_hR13_166_ah_3c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A7B6_hR13_166_ah_3c.html',
'Notes': '-',
'Pearsons Symbol': 'hR13',
'Prototype': 'Fe7W6',
@@ -8316,8 +8316,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_0': 1},
'c': {'X_1': 6},
'h': {'X_0': 6}}},
- {'AFLOW prototype label': 'A_hR1_166_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_hR1_166_a.html',
+ {'aflow_prototype_id': 'A_hR1_166_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_hR1_166_a.html',
'Notes': 'rhombohedral',
'Pearsons Symbol': 'hR1',
'Prototype': 'Hg (alpha)',
@@ -8337,8 +8337,8 @@ structure_types_by_spacegroup = {
4.7518459000000003e-11,
2.9288947099999997e-10]],
'normalized_wyckoff': {'a': {'X_0': 1}}},
- {'AFLOW prototype label': 'A_hR2_166_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_hR2_166_c.html',
+ {'aflow_prototype_id': 'A_hR2_166_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_hR2_166_c.html',
'Notes': '-',
'Pearsons Symbol': 'hR2',
'Prototype': 'O2 (beta)',
@@ -8353,8 +8353,8 @@ structure_types_by_spacegroup = {
[0.0, 1.89890504e-10, 3.76033333e-10],
[-1.6445e-10, -9.4945252e-11, 3.76033333e-10]],
'normalized_wyckoff': {'c': {'X_0': 1}}},
- {'AFLOW prototype label': 'A_hR1_166_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_hR1_166_a.html',
+ {'aflow_prototype_id': 'A_hR1_166_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_hR1_166_a.html',
'Notes': '-',
'Pearsons Symbol': 'hR1',
'Prototype': 'Po (beta)',
@@ -8374,8 +8374,8 @@ structure_types_by_spacegroup = {
-2.1818147e-11,
2.98911671e-10]],
'normalized_wyckoff': {'a': {'X_0': 1}}},
- {'AFLOW prototype label': 'A_hR3_166_ac',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_hR3_166_ac.html',
+ {'aflow_prototype_id': 'A_hR3_166_ac',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_hR3_166_ac.html',
'Notes': '-',
'Pearsons Symbol': 'hR3',
'Prototype': 'Sm (alpha)',
@@ -8395,8 +8395,8 @@ structure_types_by_spacegroup = {
-1.04731339e-10,
8.73133333e-10]],
'normalized_wyckoff': {'a': {'X_0': 1}, 'c': {'X_0': 2}}}],
- 167: [{'AFLOW prototype label': 'A2B3_hR10_167_c_e',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B3_hR10_167_c_e.html',
+ 167: [{'aflow_prototype_id': 'A2B3_hR10_167_c_e',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B3_hR10_167_c_e.html',
'Notes': 'corundum',
'Pearsons Symbol': 'hR10',
'Prototype': 'Al2O3 (alpha)',
@@ -8450,8 +8450,8 @@ structure_types_by_spacegroup = {
3.6213980000000004e-10,
2.56984e-11]],
'normalized_wyckoff': {'c': {'X_1': 2}, 'e': {'X_0': 3}}},
- {'AFLOW prototype label': 'ABC3_hR10_167_a_b_e',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/ABC3_hR10_167_a_b_e.html',
+ {'aflow_prototype_id': 'ABC3_hR10_167_a_b_e',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/ABC3_hR10_167_a_b_e.html',
'Notes': 'calcite',
'Pearsons Symbol': 'hR10',
'Prototype': 'CCaO3',
@@ -8488,8 +8488,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_1': 1},
'b': {'X_2': 1},
'e': {'X_0': 3}}},
- {'AFLOW prototype label': 'ABC3_hR10_167_a_b_e',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/ABC3_hR10_167_a_b_e.html',
+ {'aflow_prototype_id': 'ABC3_hR10_167_a_b_e',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/ABC3_hR10_167_a_b_e.html',
'Notes': 'paraelectric phase',
'Pearsons Symbol': 'hR10',
'Prototype': 'LiNbO3',
@@ -8528,8 +8528,8 @@ structure_types_by_spacegroup = {
'lattice_vectors': [[2.6425e-10, -4.57694425900076e-10, 0.0],
[2.6425e-10, 4.57694425900076e-10, 0.0],
[0.0, 1e-25, 3.8488e-10]]}],
- 180: [{'AFLOW prototype label': 'AB2_hP9_180_d_j',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB2_hP9_180_d_j.html',
+ 180: [{'aflow_prototype_id': 'AB2_hP9_180_d_j',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2_hP9_180_d_j.html',
'Notes': '-',
'Pearsons Symbol': 'hP9',
'Prototype': 'CrSi2',
@@ -8571,8 +8571,8 @@ structure_types_by_spacegroup = {
[2.469e-10, 4.27643344e-10, 0.0],
[0.0, 0.0, 6.730000000000001e-10]],
'normalized_wyckoff': {'c': {'X_1': 1}, 'i': {'X_0': 2}}},
- {'AFLOW prototype label': 'A2B_hP18_180_fi_bd',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_hP18_180_fi_bd.html',
+ {'aflow_prototype_id': 'A2B_hP18_180_fi_bd',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_hP18_180_fi_bd.html',
'Notes': '-',
'Pearsons Symbol': 'hP18',
'Prototype': 'Mg2Ni',
@@ -8629,8 +8629,8 @@ structure_types_by_spacegroup = {
'c': {'X_1': 1},
'f': {'X_0': 2},
'i': {'X_0': 2}}},
- {'AFLOW prototype label': 'A2B_hP9_180_j_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_hP9_180_j_c.html',
+ {'aflow_prototype_id': 'A2B_hP9_180_j_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_hP9_180_j_c.html',
'Notes': 'high quartz',
'Pearsons Symbol': 'hP9',
'Prototype': 'O2Si (beta)',
@@ -8669,8 +8669,8 @@ structure_types_by_spacegroup = {
'lattice_vectors': [[2.49885e-10, -4.32813516049349e-10, 0.0],
[2.49885e-10, 4.32813516049349e-10, 0.0],
[0.0, 0.0, 5.4601e-10]]}],
- 182: [{'AFLOW prototype label': 'AB3_hP8_182_c_g',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB3_hP8_182_c_g.html',
+ 182: [{'aflow_prototype_id': 'AB3_hP8_182_c_g',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB3_hP8_182_c_g.html',
'Notes': 'bainite',
'Pearsons Symbol': 'hP8',
'Prototype': 'CFe3',
@@ -8699,8 +8699,8 @@ structure_types_by_spacegroup = {
[2.42535e-10, 4.200829426137e-10, 0.0],
[0.0, 0.0, 4.2054e-10]],
'normalized_wyckoff': {'c': {'X_1': 1}, 'g': {'X_0': 3}}}],
- 186: [{'AFLOW prototype label': 'A5B3C_hP18_186_2a3b_2ab_b',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A5B3C_hP18_186_2a3b_2ab_b.html',
+ 186: [{'aflow_prototype_id': 'A5B3C_hP18_186_2a3b_2ab_b',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A5B3C_hP18_186_2a3b_2ab_b.html',
'Notes': '-',
'Pearsons Symbol': 'hP18',
'Prototype': 'Al5C3N',
@@ -8755,8 +8755,8 @@ structure_types_by_spacegroup = {
[0.0, 0.0, 2.155e-09]],
'normalized_wyckoff': {'a': {'X_0': 2, 'X_1': 1, 'X_2': 1},
'b': {'X_0': 3, 'X_1': 2}}},
- {'AFLOW prototype label': 'AB_hP4_186_b_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_hP4_186_b_a.html',
+ {'aflow_prototype_id': 'AB_hP4_186_b_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_hP4_186_b_a.html',
'Notes': '-',
'Pearsons Symbol': 'hP4',
'Prototype': 'BN',
@@ -8777,8 +8777,8 @@ structure_types_by_spacegroup = {
[1.255e-10, 2.17372376349894e-10, 0.0],
[0.0, 0.0, 6.7e-10]],
'normalized_wyckoff': {'a': {'X_0': 1}, 'b': {'X_1': 1}}},
- {'AFLOW prototype label': 'A_hP4_186_ab',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_hP4_186_ab.html',
+ {'aflow_prototype_id': 'A_hP4_186_ab',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_hP4_186_ab.html',
'Notes': 'buckled graphite',
'Pearsons Symbol': 'hP4',
'Prototype': 'C',
@@ -8799,8 +8799,8 @@ structure_types_by_spacegroup = {
[1.235e-10, 2.139082747348e-10, 0.0],
[0.0, 0.0, 6.8e-10]],
'normalized_wyckoff': {'a': {'X_0': 1}, 'b': {'X_0': 1}}},
- {'AFLOW prototype label': 'AB_hP12_186_a2b_a2b',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_hP12_186_a2b_a2b.html',
+ {'aflow_prototype_id': 'AB_hP12_186_a2b_a2b',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_hP12_186_a2b_a2b.html',
'Notes': 'moissanite-6H',
'Pearsons Symbol': 'hP12',
'Prototype': 'CSi',
@@ -8853,8 +8853,8 @@ structure_types_by_spacegroup = {
[0.0, 0.0, 1.511976e-09]],
'normalized_wyckoff': {'a': {'X_0': 1, 'X_1': 1},
'b': {'X_0': 2, 'X_1': 2}}},
- {'AFLOW prototype label': 'AB_hP8_186_ab_ab',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_hP8_186_ab_ab.html',
+ {'aflow_prototype_id': 'AB_hP8_186_ab_ab',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_hP8_186_ab_ab.html',
'Notes': 'moissanite-4H',
'Pearsons Symbol': 'hP8',
'Prototype': 'CSi',
@@ -8884,8 +8884,8 @@ structure_types_by_spacegroup = {
[0.0, 0.0, 1.00848e-09]],
'normalized_wyckoff': {'a': {'X_0': 1, 'X_1': 1},
'b': {'X_0': 1, 'X_1': 1}}},
- {'AFLOW prototype label': 'AB_hP4_186_b_b',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_hP4_186_b_b.html',
+ {'aflow_prototype_id': 'AB_hP4_186_b_b',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_hP4_186_b_b.html',
'Notes': 'wurtzite',
'Pearsons Symbol': 'hP4',
'Prototype': 'SZn',
@@ -8908,8 +8908,8 @@ structure_types_by_spacegroup = {
[1.91135e-10, 3.310555311047e-10, 0.0],
[0.0, 0.0, 6.2607e-10]],
'normalized_wyckoff': {'b': {'X_0': 1, 'X_1': 1}}}],
- 187: [{'AFLOW prototype label': 'ABC_hP3_187_a_d_f',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/ABC_hP3_187_a_d_f.html',
+ 187: [{'aflow_prototype_id': 'ABC_hP3_187_a_d_f',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/ABC_hP3_187_a_d_f.html',
'Notes': '-',
'Pearsons Symbol': 'hP3',
'Prototype': 'BaPtSb',
@@ -8935,8 +8935,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_0': 1},
'd': {'X_1': 1},
'e': {'X_2': 1}}},
- {'AFLOW prototype label': 'AB_hP2_187_d_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_hP2_187_d_a.html',
+ {'aflow_prototype_id': 'AB_hP2_187_d_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_hP2_187_d_a.html',
'Notes': '-',
'Pearsons Symbol': 'hP2',
'Prototype': 'CW',
@@ -8951,8 +8951,8 @@ structure_types_by_spacegroup = {
[1.453e-10, 2.5166698200000005e-10, 0.0],
[0.0, 0.0, 2.837e-10]],
'normalized_wyckoff': {'a': {'X_0': 1}, 'f': {'X_1': 1}}}],
- 189: [{'AFLOW prototype label': 'A2B_hP9_189_fg_bc',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_hP9_189_fg_bc.html',
+ 189: [{'aflow_prototype_id': 'A2B_hP9_189_fg_bc',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_hP9_189_fg_bc.html',
'Notes': 'revised structure',
'Pearsons Symbol': 'hP9',
'Prototype': 'Fe2P',
@@ -8985,8 +8985,8 @@ structure_types_by_spacegroup = {
'lattice_vectors': [[2.925e-10, -5.06624861213897e-10, 0.0],
[2.925e-10, 5.06624861213897e-10, 0.0],
[0.0, 0.0, 3.45e-10]]}],
- 191: [{'AFLOW prototype label': 'AB2_hP3_191_a_d',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB2_hP3_191_a_d.html',
+ 191: [{'aflow_prototype_id': 'AB2_hP3_191_a_d',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2_hP3_191_a_d.html',
'Notes': 'hexagonal omega',
'Pearsons Symbol': 'hP3',
'Prototype': 'AlB2',
@@ -9002,8 +9002,8 @@ structure_types_by_spacegroup = {
[1.5025e-10, 2.60240634e-10, 0.0],
[0.0, 0.0, 3.257e-10]],
'normalized_wyckoff': {'a': {'X_1': 1}, 'd': {'X_0': 2}}},
- {'AFLOW prototype label': 'AB4C_hP6_191_a_h_b',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB4C_hP6_191_a_h_b.html',
+ {'aflow_prototype_id': 'AB4C_hP6_191_a_h_b',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB4C_hP6_191_a_h_b.html',
'Notes': 'doubled omega',
'Pearsons Symbol': 'hP6',
'Prototype': 'AlB4Mg',
@@ -9032,8 +9032,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_1': 1},
'b': {'X_2': 1},
'h': {'X_0': 4}}},
- {'AFLOW prototype label': 'AB5_hP6_191_a_cg',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB5_hP6_191_a_cg.html',
+ {'aflow_prototype_id': 'AB5_hP6_191_a_cg',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB5_hP6_191_a_cg.html',
'Notes': '-',
'Pearsons Symbol': 'hP6',
'Prototype': 'CaCu5',
@@ -9058,8 +9058,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'b': {'X_1': 1},
'd': {'X_0': 2},
'f': {'X_0': 3}}},
- {'AFLOW prototype label': 'AB_hP6_191_f_ad',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_hP6_191_f_ad.html',
+ {'aflow_prototype_id': 'AB_hP6_191_f_ad',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_hP6_191_f_ad.html',
'Notes': '-',
'Pearsons Symbol': 'hP6',
'Prototype': 'CoSn',
@@ -9080,8 +9080,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_0': 1},
'd': {'X_0': 2},
'f': {'X_1': 3}}},
- {'AFLOW prototype label': 'A2B_hP6_191_h_e',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_hP6_191_h_e.html',
+ {'aflow_prototype_id': 'A2B_hP6_191_h_e',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_hP6_191_h_e.html',
'Notes': '-',
'Pearsons Symbol': 'hP6',
'Prototype': 'Cu2Te',
@@ -9112,8 +9112,8 @@ structure_types_by_spacegroup = {
0.0],
[0.0, 0.0, 7.274e-10]],
'normalized_wyckoff': {'e': {'X_1': 1}, 'h': {'X_0': 2}}},
- {'AFLOW prototype label': 'A_hP1_191_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_hP1_191_a.html',
+ {'aflow_prototype_id': 'A_hP1_191_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_hP1_191_a.html',
'Notes': 'simple hexagonal',
'Pearsons Symbol': 'hP1',
'Prototype': 'HgSn6-10 (gamma)',
@@ -9131,8 +9131,8 @@ structure_types_by_spacegroup = {
0.0],
[0.0, 0.0, 2.9900000000000005e-10]],
'normalized_wyckoff': {'a': {'X_0': 1}}},
- {'AFLOW prototype label': 'A3B_hP4_191_bc_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A3B_hP4_191_bc_a.html',
+ {'aflow_prototype_id': 'A3B_hP4_191_bc_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A3B_hP4_191_bc_a.html',
'Notes': '-',
'Pearsons Symbol': 'hP4',
'Prototype': 'Li3N',
@@ -9155,8 +9155,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_1': 1},
'b': {'X_0': 1},
'c': {'X_0': 2}}}],
- 194: [{'AFLOW prototype label': 'ABC2_hP8_194_d_a_f',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/ABC2_hP8_194_d_a_f.html',
+ 194: [{'aflow_prototype_id': 'ABC2_hP8_194_d_a_f',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/ABC2_hP8_194_d_a_f.html',
'Notes': 'some MAX phase',
'Pearsons Symbol': 'hP8',
'Prototype': 'AlCCr2',
@@ -9183,8 +9183,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_1': 1},
'd': {'X_2': 1},
'f': {'X_0': 2}}},
- {'AFLOW prototype label': 'AB3C4_hP16_194_c_af_ef',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB3C4_hP16_194_c_af_ef.html',
+ {'aflow_prototype_id': 'AB3C4_hP16_194_c_af_ef',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB3C4_hP16_194_c_af_ef.html',
'Notes': 'MAX phase',
'Pearsons Symbol': 'hP16',
'Prototype': 'AlN3Ti4',
@@ -9233,8 +9233,8 @@ structure_types_by_spacegroup = {
'c': {'X_2': 1},
'e': {'X_0': 2},
'f': {'X_0': 2, 'X_1': 2}}},
- {'AFLOW prototype label': 'AB3_hP8_194_c_bf',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB3_hP8_194_c_bf.html',
+ {'aflow_prototype_id': 'AB3_hP8_194_c_bf',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB3_hP8_194_c_bf.html',
'Notes': '-',
'Pearsons Symbol': 'hP8',
'Prototype': 'AsNa3',
@@ -9257,8 +9257,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'b': {'X_0': 1},
'c': {'X_1': 1},
'f': {'X_0': 2}}},
- {'AFLOW prototype label': 'AB_hP4_194_c_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_hP4_194_c_a.html',
+ {'aflow_prototype_id': 'AB_hP4_194_c_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_hP4_194_c_a.html',
'Notes': '-',
'Pearsons Symbol': 'hP4',
'Prototype': 'AsNi',
@@ -9277,8 +9277,8 @@ structure_types_by_spacegroup = {
[1.8095e-10, 3.13414594e-10, 0.0],
[0.0, 0.0, 5.034e-10]],
'normalized_wyckoff': {'a': {'X_0': 1}, 'c': {'X_1': 1}}},
- {'AFLOW prototype label': 'AB_hP8_194_ad_f',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_hP8_194_ad_f.html',
+ {'aflow_prototype_id': 'AB_hP8_194_ad_f',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_hP8_194_ad_f.html',
'Notes': '-',
'Pearsons Symbol': 'hP8',
'Prototype': 'AsTi',
@@ -9301,8 +9301,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_0': 1},
'd': {'X_0': 1},
'f': {'X_1': 2}}},
- {'AFLOW prototype label': 'ABC_hP6_194_c_d_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/ABC_hP6_194_c_d_a.html',
+ {'aflow_prototype_id': 'ABC_hP6_194_c_d_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/ABC_hP6_194_c_d_a.html',
'Notes': '-',
'Pearsons Symbol': 'hP6',
'Prototype': 'BCLi',
@@ -9331,8 +9331,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_0': 1},
'c': {'X_1': 1},
'd': {'X_2': 1}}},
- {'AFLOW prototype label': 'AB_hP4_194_c_d',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_hP4_194_c_d.html',
+ {'aflow_prototype_id': 'AB_hP4_194_c_d',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_hP4_194_c_d.html',
'Notes': '-',
'Pearsons Symbol': 'hP4',
'Prototype': 'BN',
@@ -9357,8 +9357,8 @@ structure_types_by_spacegroup = {
[1.251995e-10, 2.1685189508222e-10, 0.0],
[0.0, 0.0, 6.6612e-10]],
'normalized_wyckoff': {'c': {'X_0': 1}, 'd': {'X_1': 1}}},
- {'AFLOW prototype label': 'A5B2_hP14_194_abdf_f',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A5B2_hP14_194_abdf_f.html',
+ {'aflow_prototype_id': 'A5B2_hP14_194_abdf_f',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A5B2_hP14_194_abdf_f.html',
'Notes': '-',
'Pearsons Symbol': 'hP14',
'Prototype': 'B5W2',
@@ -9403,8 +9403,8 @@ structure_types_by_spacegroup = {
'b': {'X_0': 1},
'd': {'X_0': 1},
'f': {'X_0': 2, 'X_1': 2}}},
- {'AFLOW prototype label': 'A_hP4_194_bc',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_hP4_194_bc.html',
+ {'aflow_prototype_id': 'A_hP4_194_bc',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_hP4_194_bc.html',
'Notes': 'graphite',
'Pearsons Symbol': 'hP4',
'Prototype': 'C',
@@ -9423,8 +9423,8 @@ structure_types_by_spacegroup = {
[1.232e-10, 2.13388659492486e-10, 0.0],
[0.0, 0.0, 6.711e-10]],
'normalized_wyckoff': {'b': {'X_0': 1}, 'c': {'X_0': 1}}},
- {'AFLOW prototype label': 'A_hP4_194_f',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_hP4_194_f.html',
+ {'aflow_prototype_id': 'A_hP4_194_f',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_hP4_194_f.html',
'Notes': 'lonsdaleite',
'Pearsons Symbol': 'hP4',
'Prototype': 'C',
@@ -9449,8 +9449,8 @@ structure_types_by_spacegroup = {
[1.254e-10, 2.171991712691e-10, 0.0],
[0.0, 0.0, 4.183e-10]],
'normalized_wyckoff': {'f': {'X_0': 1}}},
- {'AFLOW prototype label': 'A_hP6_194_h',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_hP6_194_h.html',
+ {'aflow_prototype_id': 'A_hP6_194_h',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_hP6_194_h.html',
'Notes': '3-member ring',
'Pearsons Symbol': 'hP6',
'Prototype': 'C (3-ring)',
@@ -9485,8 +9485,8 @@ structure_types_by_spacegroup = {
0.0],
[0.0, 0.0, 2.50566256627303e-10]],
'normalized_wyckoff': {'h': {'X_0': 1}}},
- {'AFLOW prototype label': 'AB_hP12_194_af_bf',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_hP12_194_af_bf.html',
+ {'aflow_prototype_id': 'AB_hP12_194_af_bf',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_hP12_194_af_bf.html',
'Notes': 'some MAX phase',
'Pearsons Symbol': 'hP12',
'Prototype': 'CMo',
@@ -9530,8 +9530,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_0': 1},
'b': {'X_1': 1},
'f': {'X_0': 2, 'X_1': 2}}},
- {'AFLOW prototype label': 'AB2_hP6_194_b_f',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB2_hP6_194_b_f.html',
+ {'aflow_prototype_id': 'AB2_hP6_194_b_f',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2_hP6_194_b_f.html',
'Notes': '-',
'Pearsons Symbol': 'hP6',
'Prototype': 'CaIn2',
@@ -9550,8 +9550,8 @@ structure_types_by_spacegroup = {
[2.4475e-10, 4.2391943500000004e-10, 0.0],
[0.0, 0.0, 7.75e-10]],
'normalized_wyckoff': {'b': {'X_1': 1}, 'f': {'X_0': 2}}},
- {'AFLOW prototype label': 'AB_hP12_194_df_ce',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_hP12_194_df_ce.html',
+ {'aflow_prototype_id': 'AB_hP12_194_df_ce',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_hP12_194_df_ce.html',
'Notes': '-',
'Pearsons Symbol': 'hP12',
'Prototype': 'CuS',
@@ -9596,8 +9596,8 @@ structure_types_by_spacegroup = {
'd': {'X_1': 1},
'e': {'X_0': 2},
'f': {'X_1': 2}}},
- {'AFLOW prototype label': 'AB2_hP6_194_c_ad',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB2_hP6_194_c_ad.html',
+ {'aflow_prototype_id': 'AB2_hP6_194_c_ad',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2_hP6_194_c_ad.html',
'Notes': '-',
'Pearsons Symbol': 'hP6',
'Prototype': 'InNi2',
@@ -9626,8 +9626,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_0': 1},
'c': {'X_1': 1},
'd': {'X_0': 1}}},
- {'AFLOW prototype label': 'A_hP4_194_ac',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_hP4_194_ac.html',
+ {'aflow_prototype_id': 'A_hP4_194_ac',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_hP4_194_ac.html',
'Notes': '-',
'Pearsons Symbol': 'hP4',
'Prototype': 'La (alpha)',
@@ -9648,8 +9648,8 @@ structure_types_by_spacegroup = {
[1.885e-10, 3.26491577e-10, 0.0],
[0.0, 0.0, 1.2159000000000001e-09]],
'normalized_wyckoff': {'a': {'X_0': 1}, 'c': {'X_0': 1}}},
- {'AFLOW prototype label': 'A_hP2_194_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_hP2_194_c.html',
+ {'aflow_prototype_id': 'A_hP2_194_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_hP2_194_c.html',
'Notes': 'hcp',
'Pearsons Symbol': 'hP2',
'Prototype': 'Mg',
@@ -9672,8 +9672,8 @@ structure_types_by_spacegroup = {
0.0],
[0.0, 0.0, 5.210000000000001e-10]],
'normalized_wyckoff': {'c': {'X_0': 1}}},
- {'AFLOW prototype label': 'AB2_hP24_194_ef_fgh',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB2_hP24_194_ef_fgh.html',
+ {'aflow_prototype_id': 'AB2_hP24_194_ef_fgh',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2_hP24_194_ef_fgh.html',
'Notes': 'hexagonal laves',
'Pearsons Symbol': 'hP24',
'Prototype': 'MgNi2',
@@ -9764,8 +9764,8 @@ structure_types_by_spacegroup = {
'f': {'X_0': 2, 'X_1': 2},
'g': {'X_0': 3},
'h': {'X_0': 3}}},
- {'AFLOW prototype label': 'AB2_hP12_194_f_ah',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB2_hP12_194_f_ah.html',
+ {'aflow_prototype_id': 'AB2_hP12_194_f_ah',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2_hP12_194_f_ah.html',
'Notes': 'hexagonal laves',
'Pearsons Symbol': 'hP12',
'Prototype': 'MgZn2',
@@ -9803,8 +9803,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_0': 1},
'f': {'X_1': 2},
'h': {'X_0': 3}}},
- {'AFLOW prototype label': 'AB2_hP6_194_c_f',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB2_hP6_194_c_f.html',
+ {'aflow_prototype_id': 'AB2_hP6_194_c_f',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2_hP6_194_c_f.html',
'Notes': '-',
'Pearsons Symbol': 'hP6',
'Prototype': 'MoS2',
@@ -9839,8 +9839,8 @@ structure_types_by_spacegroup = {
0.0],
[0.0, 0.0, 1.229e-09]],
'normalized_wyckoff': {'c': {'X_1': 1}, 'f': {'X_0': 2}}},
- {'AFLOW prototype label': 'A3B_hP8_194_h_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A3B_hP8_194_h_c.html',
+ {'aflow_prototype_id': 'A3B_hP8_194_h_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A3B_hP8_194_h_c.html',
'Notes': '-',
'Pearsons Symbol': 'hP8',
'Prototype': 'Ni3Sn',
@@ -9877,8 +9877,8 @@ structure_types_by_spacegroup = {
[2.6475e-10, 4.585604513039e-10, 0.0],
[0.0, 0.0, 4.247e-10]],
'normalized_wyckoff': {'c': {'X_1': 1}, 'h': {'X_0': 3}}},
- {'AFLOW prototype label': 'A2B_hP12_194_cg_f',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_hP12_194_cg_f.html',
+ {'aflow_prototype_id': 'A2B_hP12_194_cg_f',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_hP12_194_cg_f.html',
'Notes': 'beta tridymite',
'Pearsons Symbol': 'hP12',
'Prototype': 'O2Si',
@@ -9930,8 +9930,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'c': {'X_0': 1},
'f': {'X_1': 2},
'g': {'X_0': 3}}}],
- 197: [{'AFLOW prototype label': 'A4B_cI40_197_cde_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A4B_cI40_197_cde_c.html',
+ 197: [{'aflow_prototype_id': 'A4B_cI40_197_cde_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A4B_cI40_197_cde_c.html',
'Notes': '-',
'Pearsons Symbol': 'cI40',
'Prototype': 'Ga4Ni',
@@ -9994,8 +9994,8 @@ structure_types_by_spacegroup = {
[4.2147500000000004e-10,
4.2147500000000004e-10,
-4.2147500000000004e-10]]}],
- 198: [{'AFLOW prototype label': 'AB_cP8_198_a_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_cP8_198_a_a.html',
+ 198: [{'aflow_prototype_id': 'AB_cP8_198_a_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_cP8_198_a_a.html',
'Notes': '-',
'Pearsons Symbol': 'cP8',
'Prototype': 'CO',
@@ -10018,8 +10018,8 @@ structure_types_by_spacegroup = {
[0.0, 5.63e-10, 0.0],
[0.0, 0.0, 5.63e-10]],
'normalized_wyckoff': {'a': {'X_0': 1, 'X_1': 1}}},
- {'AFLOW prototype label': 'AB_cP8_198_a_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_cP8_198_a_a.html',
+ {'aflow_prototype_id': 'AB_cP8_198_a_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_cP8_198_a_a.html',
'Notes': '-',
'Pearsons Symbol': 'cP8',
'Prototype': 'FeSi',
@@ -10056,8 +10056,8 @@ structure_types_by_spacegroup = {
[0.0, 4.486875338185e-10, 0.0],
[0.0, 0.0, 4.486875338185e-10]],
'normalized_wyckoff': {'a': {'X_0': 1, 'X_1': 1}}},
- {'AFLOW prototype label': 'A3B_cP16_198_b_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A3B_cP16_198_b_a.html',
+ {'aflow_prototype_id': 'A3B_cP16_198_b_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A3B_cP16_198_b_a.html',
'Notes': 'ammonia',
'Pearsons Symbol': 'cP16',
'Prototype': 'H3N',
@@ -10109,8 +10109,8 @@ structure_types_by_spacegroup = {
[0.0, 5.091e-10, 0.0],
[0.0, 0.0, 5.091e-10]],
'normalized_wyckoff': {'a': {'X_1': 1}, 'b': {'X_0': 3}}},
- {'AFLOW prototype label': 'ABC_cP12_198_a_a_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/ABC_cP12_198_a_a_a.html',
+ {'aflow_prototype_id': 'ABC_cP12_198_a_a_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/ABC_cP12_198_a_a_a.html',
'Notes': 'ullmanite',
'Pearsons Symbol': 'cP12',
'Prototype': 'NiSSb',
@@ -10170,8 +10170,8 @@ structure_types_by_spacegroup = {
[0.0, 5.881000000000001e-10, 0.0],
[0.0, 0.0, 5.881000000000001e-10]],
'normalized_wyckoff': {'a': {'X_0': 1, 'X_1': 1, 'X_2': 1}}}],
- 199: [{'AFLOW prototype label': 'AB_cI16_199_a_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_cI16_199_a_a.html',
+ 199: [{'aflow_prototype_id': 'AB_cI16_199_a_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_cI16_199_a_a.html',
'Notes': '-',
'Pearsons Symbol': 'cI16',
'Prototype': 'CoU',
@@ -10192,8 +10192,8 @@ structure_types_by_spacegroup = {
[3.17785e-10, -3.17785e-10, 3.17785e-10],
[3.17785e-10, 3.17785e-10, -3.17785e-10]],
'normalized_wyckoff': {'a': {'X_0': 1, 'X_1': 1}}}],
- 204: [{'AFLOW prototype label': 'AB32C48_cI162_204_a_2efg_2gh',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB32C48_cI162_204_a_2efg_2gh.html',
+ 204: [{'aflow_prototype_id': 'AB32C48_cI162_204_a_2efg_2gh',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB32C48_cI162_204_a_2efg_2gh.html',
'Notes': 'Bergman',
'Pearsons Symbol': 'cI162',
'Prototype': '(Al,Zn)49Mg32',
@@ -10453,8 +10453,8 @@ structure_types_by_spacegroup = {
'f': {'X_1': 8},
'g': {'X_0': 24, 'X_1': 12},
'h': {'X_0': 24}}},
- {'AFLOW prototype label': 'A12B_cI26_204_g_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A12B_cI26_204_g_a.html',
+ {'aflow_prototype_id': 'A12B_cI26_204_g_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A12B_cI26_204_g_a.html',
'Notes': '-',
'Pearsons Symbol': 'cI26',
'Prototype': 'Al12W',
@@ -10492,8 +10492,8 @@ structure_types_by_spacegroup = {
[3.79015e-10, -3.79015e-10, 3.79015e-10],
[3.79015e-10, 3.79015e-10, -3.79015e-10]],
'normalized_wyckoff': {'a': {'X_1': 1}, 'g': {'X_0': 12}}},
- {'AFLOW prototype label': 'A3B_cI32_204_g_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A3B_cI32_204_g_c.html',
+ {'aflow_prototype_id': 'A3B_cI32_204_g_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A3B_cI32_204_g_c.html',
'Notes': 'skutterudite',
'Pearsons Symbol': 'cI32',
'Prototype': 'As3Co',
@@ -10551,8 +10551,8 @@ structure_types_by_spacegroup = {
4.1027500000000006e-10,
-4.1027500000000006e-10]],
'normalized_wyckoff': {'c': {'X_1': 1}, 'g': {'X_0': 3}}}],
- 205: [{'AFLOW prototype label': 'AB_cP16_205_c_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_cP16_205_c_c.html',
+ 205: [{'aflow_prototype_id': 'AB_cP16_205_c_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_cP16_205_c_c.html',
'Notes': 'sc16',
'Pearsons Symbol': 'cP16',
'Prototype': 'AlSb',
@@ -10624,8 +10624,8 @@ structure_types_by_spacegroup = {
[0.0, 7.48411e-10, 0.0],
[0.0, 0.0, 7.48411e-10]],
'normalized_wyckoff': {'c': {'X_0': 1, 'X_1': 1}}},
- {'AFLOW prototype label': 'AB2_cP12_205_a_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB2_cP12_205_a_c.html',
+ {'aflow_prototype_id': 'AB2_cP12_205_a_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2_cP12_205_a_c.html',
'Notes': 'pyrite',
'Pearsons Symbol': 'cP12',
'Prototype': 'FeS2',
@@ -10677,8 +10677,8 @@ structure_types_by_spacegroup = {
[0.0, 5.417e-10, 0.0],
[0.0, 0.0, 5.417e-10]],
'normalized_wyckoff': {'a': {'X_1': 1}, 'c': {'X_0': 2}}},
- {'AFLOW prototype label': 'A_cP8_205_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_cP8_205_c.html',
+ {'aflow_prototype_id': 'A_cP8_205_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_cP8_205_c.html',
'Notes': 'alpha N2',
'Pearsons Symbol': 'cP8',
'Prototype': 'N (alpha)',
@@ -10711,8 +10711,8 @@ structure_types_by_spacegroup = {
[0.0, 5.644e-10, 0.0],
[0.0, 0.0, 5.644e-10]],
'normalized_wyckoff': {'c': {'X_0': 1}}}],
- 206: [{'AFLOW prototype label': 'AB3C6_cI80_206_a_d_e',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB3C6_cI80_206_a_d_e.html',
+ 206: [{'aflow_prototype_id': 'AB3C6_cI80_206_a_d_e',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB3C6_cI80_206_a_d_e.html',
'Notes': 'bixbyite',
'Pearsons Symbol': 'cI80',
'Prototype': 'Mn2O3',
@@ -10806,8 +10806,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'b': {'X_2': 1},
'd': {'X_1': 3},
'e': {'X_0': 6}}},
- {'AFLOW prototype label': 'A_cI16_206_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_cI16_206_c.html',
+ {'aflow_prototype_id': 'A_cI16_206_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_cI16_206_c.html',
'Notes': 'bc8',
'Pearsons Symbol': 'cI16',
'Prototype': 'Si',
@@ -10850,8 +10850,8 @@ structure_types_by_spacegroup = {
2.05985734394e-10,
-2.05985734394e-10]],
'normalized_wyckoff': {'c': {'X_0': 1}}}],
- 213: [{'AFLOW prototype label': 'A_cP20_213_cd',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_cP20_213_cd.html',
+ 213: [{'aflow_prototype_id': 'A_cP20_213_cd',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_cP20_213_cd.html',
'Notes': '-',
'Pearsons Symbol': 'cP20',
'Prototype': 'Mn (beta)',
@@ -10935,8 +10935,8 @@ structure_types_by_spacegroup = {
[0.0, 6.315e-10, 0.0],
[0.0, 0.0, 6.315e-10]],
'normalized_wyckoff': {'c': {'X_0': 2}, 'd': {'X_0': 3}}}],
- 215: [{'AFLOW prototype label': 'AB3C4_cP8_215_a_c_e',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB3C4_cP8_215_a_c_e.html',
+ 215: [{'aflow_prototype_id': 'AB3C4_cP8_215_a_c_e',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB3C4_cP8_215_a_c_e.html',
'Notes': 'lazarevicite',
'Pearsons Symbol': 'cP8',
'Prototype': 'AsCu3S4',
@@ -10965,8 +10965,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_2': 1},
'c': {'X_1': 3},
'e': {'X_0': 4}}},
- {'AFLOW prototype label': 'AB4_cP5_215_a_e',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB4_cP5_215_a_e.html',
+ {'aflow_prototype_id': 'AB4_cP5_215_a_e',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB4_cP5_215_a_e.html',
'Notes': '-',
'Pearsons Symbol': 'cP5',
'Prototype': 'CFe4',
@@ -10992,8 +10992,8 @@ structure_types_by_spacegroup = {
[0.0, 3.8780000000000005e-10, 0.0],
[0.0, 0.0, 3.8780000000000005e-10]],
'normalized_wyckoff': {'a': {'X_1': 1}, 'e': {'X_0': 4}}},
- {'AFLOW prototype label': 'A3B4C_cP8_215_d_e_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A3B4C_cP8_215_d_e_a.html',
+ {'aflow_prototype_id': 'A3B4C_cP8_215_d_e_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A3B4C_cP8_215_d_e_a.html',
'Notes': 'sulvanite',
'Pearsons Symbol': 'cP8',
'Prototype': 'Cu3S4V',
@@ -11016,8 +11016,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_2': 1},
'd': {'X_1': 3},
'e': {'X_0': 4}}}],
- 216: [{'AFLOW prototype label': 'ABC_cF12_216_b_c_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/ABC_cF12_216_b_c_a.html',
+ 216: [{'aflow_prototype_id': 'ABC_cF12_216_b_c_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/ABC_cF12_216_b_c_a.html',
'Notes': 'half-Heusler',
'Pearsons Symbol': 'cF12',
'Prototype': 'AgAsMg',
@@ -11035,8 +11035,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_0': 1},
'b': {'X_1': 1},
'c': {'X_2': 1}}},
- {'AFLOW prototype label': 'AB5_cF24_216_a_ce',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB5_cF24_216_a_ce.html',
+ {'aflow_prototype_id': 'AB5_cF24_216_a_ce',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB5_cF24_216_a_ce.html',
'Notes': '-',
'Pearsons Symbol': 'cF24',
'Prototype': 'Cu4MgSn',
@@ -11065,8 +11065,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_1': 1},
'd': {'X_2': 1},
'e': {'X_0': 4}}},
- {'AFLOW prototype label': 'AB_cF8_216_c_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_cF8_216_c_a.html',
+ {'aflow_prototype_id': 'AB_cF8_216_c_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_cF8_216_c_a.html',
'Notes': 'zincblende',
'Pearsons Symbol': 'cF8',
'Prototype': 'SZn',
@@ -11081,8 +11081,8 @@ structure_types_by_spacegroup = {
[2.70465e-10, 0.0, 2.70465e-10],
[2.70465e-10, 2.70465e-10, 0.0]],
'normalized_wyckoff': {'a': {'X_0': 1}, 'd': {'X_1': 1}}}],
- 217: [{'AFLOW prototype label': 'A5B8_cI52_217_ce_cg',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A5B8_cI52_217_ce_cg.html',
+ 217: [{'aflow_prototype_id': 'A5B8_cI52_217_ce_cg',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A5B8_cI52_217_ce_cg.html',
'Notes': 'gamma brass',
'Pearsons Symbol': 'cI52',
'Prototype': 'Cu5Zn8',
@@ -11164,8 +11164,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'c': {'X_0': 2, 'X_1': 2},
'e': {'X_1': 3},
'g': {'X_0': 6}}},
- {'AFLOW prototype label': 'A4B_cI10_217_c_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A4B_cI10_217_c_a.html',
+ {'aflow_prototype_id': 'A4B_cI10_217_c_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A4B_cI10_217_c_a.html',
'Notes': '-',
'Pearsons Symbol': 'cI10',
'Prototype': 'F4Si',
@@ -11191,8 +11191,8 @@ structure_types_by_spacegroup = {
[2.705e-10, -2.705e-10, 2.705e-10],
[2.705e-10, 2.705e-10, -2.705e-10]],
'normalized_wyckoff': {'a': {'X_1': 1}, 'c': {'X_0': 4}}},
- {'AFLOW prototype label': 'A_cI58_217_ac2g',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_cI58_217_ac2g.html',
+ {'aflow_prototype_id': 'A_cI58_217_ac2g',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_cI58_217_ac2g.html',
'Notes': '-',
'Pearsons Symbol': 'cI58',
'Prototype': 'Mn (alpha)',
@@ -11276,8 +11276,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_0': 1},
'c': {'X_0': 4},
'g': {'X_0': 24}}}],
- 220: [{'AFLOW prototype label': 'A3B2_cI40_220_d_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A3B2_cI40_220_d_c.html',
+ 220: [{'aflow_prototype_id': 'A3B2_cI40_220_d_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A3B2_cI40_220_d_c.html',
'Notes': '-',
'Pearsons Symbol': 'cI40',
'Prototype': 'C3Pu2',
@@ -11345,8 +11345,8 @@ structure_types_by_spacegroup = {
[4.066e-10, -4.066e-10, 4.066e-10],
[4.066e-10, 4.066e-10, -4.066e-10]],
'normalized_wyckoff': {'c': {'X_1': 2}, 'd': {'X_0': 3}}},
- {'AFLOW prototype label': 'A_cI16_220_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_cI16_220_c.html',
+ {'aflow_prototype_id': 'A_cI16_220_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_cI16_220_c.html',
'Notes': 'high-pressure cI16 phase',
'Pearsons Symbol': 'cI16',
'Prototype': 'Li',
@@ -11381,8 +11381,8 @@ structure_types_by_spacegroup = {
2.6358000000000003e-10,
-2.6358000000000003e-10]],
'normalized_wyckoff': {'c': {'X_0': 1}}}],
- 221: [{'AFLOW prototype label': 'AB3_cP4_221_a_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB3_cP4_221_a_c.html',
+ 221: [{'aflow_prototype_id': 'AB3_cP4_221_a_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB3_cP4_221_a_c.html',
'Notes': '-',
'Pearsons Symbol': 'cP4',
'Prototype': 'AuCu3',
@@ -11399,8 +11399,8 @@ structure_types_by_spacegroup = {
[0.0, 3.75e-10, 0.0],
[0.0, 0.0, 3.75e-10]],
'normalized_wyckoff': {'a': {'X_1': 1}, 'c': {'X_0': 3}}},
- {'AFLOW prototype label': 'A6B_cP7_221_f_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A6B_cP7_221_f_a.html',
+ {'aflow_prototype_id': 'A6B_cP7_221_f_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A6B_cP7_221_f_a.html',
'Notes': '-',
'Pearsons Symbol': 'cP7',
'Prototype': 'B6Ca',
@@ -11432,8 +11432,8 @@ structure_types_by_spacegroup = {
[0.0, 4.1449999999999996e-10, 0.0],
[0.0, 0.0, 4.1449999999999996e-10]],
'normalized_wyckoff': {'b': {'X_1': 1}, 'e': {'X_0': 6}}},
- {'AFLOW prototype label': 'AB11_cP36_221_c_agij',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB11_cP36_221_c_agij.html',
+ {'aflow_prototype_id': 'AB11_cP36_221_c_agij',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB11_cP36_221_c_agij.html',
'Notes': '-',
'Pearsons Symbol': 'cP36',
'Prototype': 'BaHg11',
@@ -11521,8 +11521,8 @@ structure_types_by_spacegroup = {
'g': {'X_0': 8},
'i': {'X_0': 12},
'j': {'X_0': 12}}},
- {'AFLOW prototype label': 'AB3C_cP5_221_a_c_b',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB3C_cP5_221_a_c_b.html',
+ {'aflow_prototype_id': 'AB3C_cP5_221_a_c_b',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB3C_cP5_221_a_c_b.html',
'Notes': 'cubic perovskite',
'Pearsons Symbol': 'cP5',
'Prototype': 'CaO3Ti',
@@ -11542,8 +11542,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_1': 1},
'b': {'X_2': 1},
'c': {'X_0': 3}}},
- {'AFLOW prototype label': 'AB_cP2_221_b_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_cP2_221_b_a.html',
+ {'aflow_prototype_id': 'AB_cP2_221_b_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_cP2_221_b_a.html',
'Notes': '-',
'Pearsons Symbol': 'cP2',
'Prototype': 'ClCs',
@@ -11560,8 +11560,8 @@ structure_types_by_spacegroup = {
[0.0, 4.1100000000000003e-10, 0.0],
[0.0, 0.0, 4.1100000000000003e-10]],
'normalized_wyckoff': {'a': {'X_0': 1}, 'b': {'X_1': 1}}},
- {'AFLOW prototype label': 'AB11CD3_cP16_221_a_dg_b_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB11CD3_cP16_221_a_dg_b_c.html',
+ {'aflow_prototype_id': 'AB11CD3_cP16_221_a_dg_b_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB11CD3_cP16_221_a_dg_b_c.html',
'Notes': 'hypothetical ferrite structure',
'Pearsons Symbol': 'cP16',
'Prototype': 'CrFe8MoNi6',
@@ -11617,8 +11617,8 @@ structure_types_by_spacegroup = {
'c': {'X_1': 3},
'd': {'X_1': 3},
'g': {'X_0': 8}}},
- {'AFLOW prototype label': 'AB27CD3_cP32_221_a_dij_b_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB27CD3_cP32_221_a_dij_b_c.html',
+ {'aflow_prototype_id': 'AB27CD3_cP32_221_a_dij_b_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB27CD3_cP32_221_a_dij_b_c.html',
'Notes': 'hypothetical austenite structure',
'Pearsons Symbol': 'cP32',
'Prototype': 'CrFe25Ni6',
@@ -11723,8 +11723,8 @@ structure_types_by_spacegroup = {
'd': {'X_1': 3},
'i': {'X_0': 12},
'j': {'X_0': 12}}},
- {'AFLOW prototype label': 'AB_cP6_221_c_d',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_cP6_221_c_d.html',
+ {'aflow_prototype_id': 'AB_cP6_221_c_d',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_cP6_221_c_d.html',
'Notes': '-',
'Pearsons Symbol': 'cP6',
'Prototype': 'NbO',
@@ -11743,8 +11743,8 @@ structure_types_by_spacegroup = {
[0.0, 4.212e-10, 0.0],
[0.0, 0.0, 4.212e-10]],
'normalized_wyckoff': {'c': {'X_0': 1}, 'd': {'X_1': 1}}},
- {'AFLOW prototype label': 'A3B_cP4_221_d_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A3B_cP4_221_d_a.html',
+ {'aflow_prototype_id': 'A3B_cP4_221_d_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A3B_cP4_221_d_a.html',
'Notes': '-',
'Pearsons Symbol': 'cP4',
'Prototype': 'O3Re (alpha)',
@@ -11761,8 +11761,8 @@ structure_types_by_spacegroup = {
[0.0, 3.74774e-10, 0.0],
[0.0, 0.0, 3.74774e-10]],
'normalized_wyckoff': {'a': {'X_1': 1}, 'd': {'X_0': 3}}},
- {'AFLOW prototype label': 'A_cP1_221_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_cP1_221_a.html',
+ {'aflow_prototype_id': 'A_cP1_221_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_cP1_221_a.html',
'Notes': 'simple cubic',
'Pearsons Symbol': 'cP1',
'Prototype': 'Po (alpha)',
@@ -11776,8 +11776,8 @@ structure_types_by_spacegroup = {
[0.0, 3.34e-10, 0.0],
[0.0, 0.0, 3.34e-10]],
'normalized_wyckoff': {'a': {'X_0': 1}}}],
- 223: [{'AFLOW prototype label': 'A3B_cP8_223_c_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A3B_cP8_223_c_a.html',
+ 223: [{'aflow_prototype_id': 'A3B_cP8_223_c_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A3B_cP8_223_c_a.html',
'Notes': '-',
'Pearsons Symbol': 'cP8',
'Prototype': 'Cr3Si',
@@ -11798,8 +11798,8 @@ structure_types_by_spacegroup = {
[0.0, 4.55e-10, 0.0],
[0.0, 0.0, 4.55e-10]],
'normalized_wyckoff': {'a': {'X_1': 1}, 'd': {'X_0': 3}}},
- {'AFLOW prototype label': 'A_cP46_223_dik',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_cP46_223_dik.html',
+ {'aflow_prototype_id': 'A_cP46_223_dik',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_cP46_223_dik.html',
'Notes': 'clathrate',
'Pearsons Symbol': 'cP46',
'Prototype': 'Si46',
@@ -11945,8 +11945,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'d': {'X_0': 3},
'i': {'X_0': 8},
'k': {'X_0': 12}}}],
- 224: [{'AFLOW prototype label': 'A2B_cP6_224_b_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_cP6_224_b_a.html',
+ 224: [{'aflow_prototype_id': 'A2B_cP6_224_b_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_cP6_224_b_a.html',
'Notes': 'cuprite',
'Pearsons Symbol': 'cP6',
'Prototype': 'Ag2O',
@@ -11967,8 +11967,8 @@ structure_types_by_spacegroup = {
[0.0, 4.723e-10, 0.0],
[0.0, 0.0, 4.723e-10]],
'normalized_wyckoff': {'a': {'X_1': 1}, 'c': {'X_0': 2}}}],
- 225: [{'AFLOW prototype label': 'AB2C_cF16_225_a_c_b',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB2C_cF16_225_a_c_b.html',
+ 225: [{'aflow_prototype_id': 'AB2C_cF16_225_a_c_b',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2C_cF16_225_a_c_b.html',
'Notes': 'Heusler',
'Pearsons Symbol': 'cF16',
'Prototype': 'AlCu2Mn',
@@ -11987,8 +11987,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_1': 1},
'b': {'X_2': 1},
'c': {'X_0': 2}}},
- {'AFLOW prototype label': 'AB3_cF16_225_a_bc',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB3_cF16_225_a_bc.html',
+ {'aflow_prototype_id': 'AB3_cF16_225_a_bc',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB3_cF16_225_a_bc.html',
'Notes': '-',
'Pearsons Symbol': 'cF16',
'Prototype': 'AlFe3',
@@ -12007,8 +12007,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_1': 1},
'b': {'X_0': 1},
'c': {'X_0': 2}}},
- {'AFLOW prototype label': 'A12B_cF52_225_i_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A12B_cF52_225_i_a.html',
+ {'aflow_prototype_id': 'A12B_cF52_225_i_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A12B_cF52_225_i_a.html',
'Notes': '-',
'Pearsons Symbol': 'cF52',
'Prototype': 'B12U',
@@ -12046,8 +12046,8 @@ structure_types_by_spacegroup = {
[3.7385e-10, 0.0, 3.7385e-10],
[3.7385e-10, 3.7385e-10, 0.0]],
'normalized_wyckoff': {'a': {'X_1': 1}, 'i': {'X_0': 12}}},
- {'AFLOW prototype label': 'A6B23_cF116_225_e_acfh',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A6B23_cF116_225_e_acfh.html',
+ {'aflow_prototype_id': 'A6B23_cF116_225_e_acfh',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A6B23_cF116_225_e_acfh.html',
'Notes': '-',
'Pearsons Symbol': 'cF116',
'Prototype': 'C6Cr23',
@@ -12131,8 +12131,8 @@ structure_types_by_spacegroup = {
'e': {'X_2': 6},
'f': {'X_1': 8},
'h': {'X_0': 12}}},
- {'AFLOW prototype label': 'AB2_cF12_225_a_c',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB2_cF12_225_a_c.html',
+ {'aflow_prototype_id': 'AB2_cF12_225_a_c',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2_cF12_225_a_c.html',
'Notes': 'fluorite',
'Pearsons Symbol': 'cF12',
'Prototype': 'CaF2',
@@ -12150,8 +12150,8 @@ structure_types_by_spacegroup = {
[2.731475e-10, 0.0, 2.731475e-10],
[2.731475e-10, 2.731475e-10, 0.0]],
'normalized_wyckoff': {'a': {'X_1': 1}, 'c': {'X_0': 2}}},
- {'AFLOW prototype label': 'A7B_cF32_225_bd_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A7B_cF32_225_bd_a.html',
+ {'aflow_prototype_id': 'A7B_cF32_225_bd_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A7B_cF32_225_bd_a.html',
'Notes': '-',
'Pearsons Symbol': 'cF32',
'Prototype': 'Ca7Ge',
@@ -12174,8 +12174,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_1': 1},
'b': {'X_0': 1},
'd': {'X_0': 6}}},
- {'AFLOW prototype label': 'AB_cF8_225_a_b',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_cF8_225_a_b.html',
+ {'aflow_prototype_id': 'AB_cF8_225_a_b',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_cF8_225_a_b.html',
'Notes': 'rock salt',
'Pearsons Symbol': 'cF8',
'Prototype': 'ClNa',
@@ -12190,8 +12190,8 @@ structure_types_by_spacegroup = {
[2.815e-10, 0.0, 2.815e-10],
[2.815e-10, 2.815e-10, 0.0]],
'normalized_wyckoff': {'a': {'X_0': 1}, 'b': {'X_1': 1}}},
- {'AFLOW prototype label': 'AB18C8_cF108_225_a_eh_f',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB18C8_cF108_225_a_eh_f.html',
+ {'aflow_prototype_id': 'AB18C8_cF108_225_a_eh_f',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB18C8_cF108_225_a_eh_f.html',
'Notes': 'hypothetical austenite structure',
'Pearsons Symbol': 'cF108',
'Prototype': 'CrFe18Ni8',
@@ -12276,8 +12276,8 @@ structure_types_by_spacegroup = {
'e': {'X_0': 6},
'f': {'X_1': 8},
'h': {'X_0': 12}}},
- {'AFLOW prototype label': 'A9B16C7_cF128_225_acd_2f_be',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A9B16C7_cF128_225_acd_2f_be.html',
+ {'aflow_prototype_id': 'A9B16C7_cF128_225_acd_2f_be',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A9B16C7_cF128_225_acd_2f_be.html',
'Notes': 'hypothetical ferrite structure',
'Pearsons Symbol': 'cF128',
'Prototype': 'Cr9Fe16Ni7',
@@ -12396,8 +12396,8 @@ structure_types_by_spacegroup = {
'd': {'X_1': 6},
'e': {'X_2': 6},
'f': {'X_0': 16}}},
- {'AFLOW prototype label': 'A_cF4_225_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_cF4_225_a.html',
+ {'aflow_prototype_id': 'A_cF4_225_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_cF4_225_a.html',
'Notes': 'fcc',
'Pearsons Symbol': 'cF4',
'Prototype': 'Cu',
@@ -12417,8 +12417,8 @@ structure_types_by_spacegroup = {
2.0400000000000002e-10,
0.0]],
'normalized_wyckoff': {'a': {'X_0': 1}}}],
- 227: [{'AFLOW prototype label': 'A2BC4_cF56_227_d_a_e',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2BC4_cF56_227_d_a_e.html',
+ 227: [{'aflow_prototype_id': 'A2BC4_cF56_227_d_a_e',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2BC4_cF56_227_d_a_e.html',
'Notes': 'spinel',
'Pearsons Symbol': 'cF56',
'Prototype': 'Al2MgO4',
@@ -12460,8 +12460,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'b': {'X_2': 1},
'c': {'X_1': 2},
'e': {'X_0': 4}}},
- {'AFLOW prototype label': 'A_cF8_227_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_cF8_227_a.html',
+ {'aflow_prototype_id': 'A_cF8_227_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_cF8_227_a.html',
'Notes': 'diamond',
'Pearsons Symbol': 'cF8',
'Prototype': 'C',
@@ -12476,8 +12476,8 @@ structure_types_by_spacegroup = {
[1.775e-10, 0.0, 1.775e-10],
[1.775e-10, 1.775e-10, 0.0]],
'normalized_wyckoff': {'a': {'X_0': 1}}},
- {'AFLOW prototype label': 'AB3C3_cF112_227_c_de_f',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB3C3_cF112_227_c_de_f.html',
+ {'aflow_prototype_id': 'AB3C3_cF112_227_c_de_f',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB3C3_cF112_227_c_de_f.html',
'Notes': '-',
'Pearsons Symbol': 'cF112',
'Prototype': 'CFe3W3',
@@ -12560,8 +12560,8 @@ structure_types_by_spacegroup = {
'lattice_vectors': [[0.0, 5.52e-10, 5.52e-10],
[5.52e-10, 0.0, 5.52e-10],
[5.52e-10, 5.52e-10, 0.0]]},
- {'AFLOW prototype label': 'AB2_cF48_227_c_e',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB2_cF48_227_c_e.html',
+ {'aflow_prototype_id': 'AB2_cF48_227_c_e',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2_cF48_227_c_e.html',
'Notes': 'also CTi2',
'Pearsons Symbol': 'cF48',
'Prototype': 'Ca33Ge',
@@ -12601,8 +12601,8 @@ structure_types_by_spacegroup = {
[4.3e-10, 0.0, 4.3e-10],
[4.3e-10, 4.3e-10, 0.0]],
'normalized_wyckoff': {'d': {'X_1': 1}, 'e': {'X_0': 2}}},
- {'AFLOW prototype label': 'A2B_cF24_227_d_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_cF24_227_d_a.html',
+ {'aflow_prototype_id': 'A2B_cF24_227_d_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_cF24_227_d_a.html',
'Notes': 'cubic laves',
'Pearsons Symbol': 'cF24',
'Prototype': 'Cu2Mg',
@@ -12621,8 +12621,8 @@ structure_types_by_spacegroup = {
[3.51e-10, 0.0, 3.51e-10],
[3.51e-10, 3.51e-10, 0.0]],
'normalized_wyckoff': {'b': {'X_1': 1}, 'c': {'X_0': 2}}},
- {'AFLOW prototype label': 'AB_cF16_227_a_b',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB_cF16_227_a_b.html',
+ {'aflow_prototype_id': 'AB_cF16_227_a_b',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_cF16_227_a_b.html',
'Notes': '-',
'Pearsons Symbol': 'cF16',
'Prototype': 'NaTl',
@@ -12641,8 +12641,8 @@ structure_types_by_spacegroup = {
[3.7415e-10, 0.0, 3.7415e-10],
[3.7415e-10, 3.7415e-10, 0.0]],
'normalized_wyckoff': {'a': {'X_0': 1}, 'b': {'X_1': 1}}},
- {'AFLOW prototype label': 'AB2_cF96_227_e_cf',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB2_cF96_227_e_cf.html',
+ {'aflow_prototype_id': 'AB2_cF96_227_e_cf',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2_cF96_227_e_cf.html',
'Notes': '-',
'Pearsons Symbol': 'cF96',
'Prototype': 'NiTi2',
@@ -12715,8 +12715,8 @@ structure_types_by_spacegroup = {
'lattice_vectors': [[0.0, 5.65965e-10, 5.65965e-10],
[5.65965e-10, 0.0, 5.65965e-10],
[5.65965e-10, 5.65965e-10, 0.0]]},
- {'AFLOW prototype label': 'A2B_cF24_227_c_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B_cF24_227_c_a.html',
+ {'aflow_prototype_id': 'A2B_cF24_227_c_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_cF24_227_c_a.html',
'Notes': 'ideal beta cristobalite',
'Pearsons Symbol': 'cF24',
'Prototype': 'O2Si',
@@ -12737,8 +12737,8 @@ structure_types_by_spacegroup = {
[3.583e-10, 0.0, 3.583e-10],
[3.583e-10, 3.583e-10, 0.0]],
'normalized_wyckoff': {'a': {'X_1': 1}, 'c': {'X_0': 2}}},
- {'AFLOW prototype label': 'A_cF136_227_aeg',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_cF136_227_aeg.html',
+ {'aflow_prototype_id': 'A_cF136_227_aeg',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_cF136_227_aeg.html',
'Notes': 'clathrate',
'Pearsons Symbol': 'cF136',
'Prototype': 'Si34',
@@ -12890,8 +12890,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'b': {'X_0': 1},
'e': {'X_0': 4},
'g': {'X_0': 12}}}],
- 229: [{'AFLOW prototype label': 'AB4C3_cI16_229_a_c_b',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB4C3_cI16_229_a_c_b.html',
+ 229: [{'aflow_prototype_id': 'AB4C3_cI16_229_a_c_b',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB4C3_cI16_229_a_c_b.html',
'Notes': 'hypothetical ferrite structure',
'Pearsons Symbol': 'cI16',
'Prototype': 'CrFe4Ni3',
@@ -12928,8 +12928,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_2': 1},
'b': {'X_1': 3},
'c': {'X_0': 4}}},
- {'AFLOW prototype label': 'AB12C3_cI32_229_a_h_b',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/AB12C3_cI32_229_a_h_b.html',
+ {'aflow_prototype_id': 'AB12C3_cI32_229_a_h_b',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB12C3_cI32_229_a_h_b.html',
'Notes': 'hypothetical austenite structure',
'Pearsons Symbol': 'cI32',
'Prototype': 'CrFe12Ni3',
@@ -12975,8 +12975,8 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'a': {'X_2': 1},
'b': {'X_1': 3},
'h': {'X_0': 12}}},
- {'AFLOW prototype label': 'A2B7_cI54_229_e_afh',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B7_cI54_229_e_afh.html',
+ {'aflow_prototype_id': 'A2B7_cI54_229_e_afh',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B7_cI54_229_e_afh.html',
'Notes': 'hypothetical ferrite structure',
'Pearsons Symbol': 'cI54',
'Prototype': 'CrFe20Ni6',
@@ -13061,8 +13061,8 @@ structure_types_by_spacegroup = {
'e': {'X_1': 6},
'f': {'X_0': 8},
'h': {'X_0': 12}}},
- {'AFLOW prototype label': 'A3B_cI8_229_b_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A3B_cI8_229_b_a.html',
+ {'aflow_prototype_id': 'A3B_cI8_229_b_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A3B_cI8_229_b_a.html',
'Notes': '-',
'Pearsons Symbol': 'cI5',
'Prototype': 'La2O3',
@@ -13079,8 +13079,8 @@ structure_types_by_spacegroup = {
[2.255e-10, -2.255e-10, 2.255e-10],
[2.255e-10, 2.255e-10, -2.255e-10]],
'normalized_wyckoff': {'a': {'X_1': 1}, 'b': {'X_0': 3}}},
- {'AFLOW prototype label': 'A4B3_cI14_229_c_b',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A4B3_cI14_229_c_b.html',
+ {'aflow_prototype_id': 'A4B3_cI14_229_c_b',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A4B3_cI14_229_c_b.html',
'Notes': '-',
'Pearsons Symbol': 'cI14',
'Prototype': 'O4Pt3',
@@ -13100,8 +13100,8 @@ structure_types_by_spacegroup = {
[3.113e-10, -3.113e-10, 3.113e-10],
[3.113e-10, 3.113e-10, -3.113e-10]],
'normalized_wyckoff': {'b': {'X_1': 3}, 'c': {'X_0': 4}}},
- {'AFLOW prototype label': 'A2B7_cI54_229_e_afh',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A2B7_cI54_229_e_afh.html',
+ {'aflow_prototype_id': 'A2B7_cI54_229_e_afh',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B7_cI54_229_e_afh.html',
'Notes': 'see CrFe20Ni6',
'Pearsons Symbol': 'cI54',
'Prototype': 'Sb2Tl7',
@@ -13210,8 +13210,8 @@ structure_types_by_spacegroup = {
'e': {'X_1': 6},
'f': {'X_0': 8},
'h': {'X_0': 12}}},
- {'AFLOW prototype label': 'A_cI2_229_a',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A_cI2_229_a.html',
+ {'aflow_prototype_id': 'A_cI2_229_a',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_cI2_229_a.html',
'Notes': 'bcc',
'Pearsons Symbol': 'cI2',
'Prototype': 'W',
@@ -13225,8 +13225,8 @@ structure_types_by_spacegroup = {
[1.65e-10, -1.65e-10, 1.65e-10],
[1.65e-10, 1.65e-10, -1.65e-10]],
'normalized_wyckoff': {'a': {'X_0': 1}}}],
- 230: [{'AFLOW prototype label': 'A4B3_cI112_230_af_g',
- 'AFLOW url': 'http://www.aflowlib.org/CrystalDatabase/A4B3_cI112_230_af_g.html',
+ 230: [{'aflow_prototype_id': 'A4B3_cI112_230_af_g',
+ 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A4B3_cI112_230_af_g.html',
'Notes': '-',
'Pearsons Symbol': 'cI112',
'Prototype': 'Ga4Ni3',