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Commit c7f08b1a authored by Daria M. Tomecka's avatar Daria M. Tomecka
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adding fixed aflow urls for 16 exceptions

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...@@ -2870,7 +2870,7 @@ structure_types_by_spacegroup = { ...@@ -2870,7 +2870,7 @@ structure_types_by_spacegroup = {
'normalized_wyckoff': {'c': {'X_0': 1}, 'normalized_wyckoff': {'c': {'X_0': 1},
'd': {'X_1': 1, 'X_2': 1, 'X_3': 1}}}], 'd': {'X_1': 1, 'X_2': 1, 'X_3': 1}}}],
58: [{'aflow_prototype_id': 'AB2_oP6_58_a_g', 58: [{'aflow_prototype_id': 'AB2_oP6_58_a_g',
'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2_oP6_58_a_g.html', 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2_oP6_58_a_g.eta-Fe2C.html',
'Notes': '-', 'Notes': '-',
'Pearsons Symbol': 'oP6', 'Pearsons Symbol': 'oP6',
'Prototype': 'CFe2', 'Prototype': 'CFe2',
...@@ -2890,7 +2890,7 @@ structure_types_by_spacegroup = { ...@@ -2890,7 +2890,7 @@ structure_types_by_spacegroup = {
[0.0, 0.0, 2.83e-10]], [0.0, 0.0, 2.83e-10]],
'normalized_wyckoff': {'a': {'X_1': 1}, 'g': {'X_0': 2}}}, 'normalized_wyckoff': {'a': {'X_1': 1}, 'g': {'X_0': 2}}},
{'aflow_prototype_id': 'AB2_oP6_58_a_g', {'aflow_prototype_id': 'AB2_oP6_58_a_g',
'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2_oP6_58_a_g.html', 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2_oP6_58_a_g.CaCl2.html',
'Notes': '-', 'Notes': '-',
'Pearsons Symbol': 'oP6', 'Pearsons Symbol': 'oP6',
'Prototype': 'CaCl2', 'Prototype': 'CaCl2',
...@@ -2914,7 +2914,7 @@ structure_types_by_spacegroup = { ...@@ -2914,7 +2914,7 @@ structure_types_by_spacegroup = {
[0.0, 0.0, 4.2000000000000005e-10]], [0.0, 0.0, 4.2000000000000005e-10]],
'normalized_wyckoff': {'a': {'X_1': 1}, 'g': {'X_0': 2}}}, 'normalized_wyckoff': {'a': {'X_1': 1}, 'g': {'X_0': 2}}},
{'aflow_prototype_id': 'AB2_oP6_58_a_g', {'aflow_prototype_id': 'AB2_oP6_58_a_g',
'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2_oP6_58_a_g.html', 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB2_oP6_58_a_g.FeS2.html',
'Notes': 'marcasite', 'Notes': 'marcasite',
'Pearsons Symbol': 'oP6', 'Pearsons Symbol': 'oP6',
'Prototype': 'FeS2', 'Prototype': 'FeS2',
...@@ -3151,7 +3151,7 @@ structure_types_by_spacegroup = { ...@@ -3151,7 +3151,7 @@ structure_types_by_spacegroup = {
[0.0, 0.0, 5.138e-10]], [0.0, 0.0, 5.138e-10]],
'normalized_wyckoff': {'c': {'X_0': 2, 'X_1': 1}}}], 'normalized_wyckoff': {'c': {'X_0': 2, 'X_1': 1}}}],
62: [{'aflow_prototype_id': 'AB_oP8_62_c_c', 62: [{'aflow_prototype_id': 'AB_oP8_62_c_c',
'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_oP8_62_c_c.html', 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_oP8_62_c_c.FeB.html',
'Notes': '-', 'Notes': '-',
'Pearsons Symbol': 'oP8', 'Pearsons Symbol': 'oP8',
'Prototype': 'BFe', 'Prototype': 'BFe',
...@@ -3554,7 +3554,7 @@ structure_types_by_spacegroup = { ...@@ -3554,7 +3554,7 @@ structure_types_by_spacegroup = {
'c': {'X_0': 1, 'X_2': 1}, 'c': {'X_0': 1, 'X_2': 1},
'd': {'X_0': 2}}}, 'd': {'X_0': 2}}},
{'aflow_prototype_id': 'A2B_oP12_62_2c_c', {'aflow_prototype_id': 'A2B_oP12_62_2c_c',
'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_oP12_62_2c_c.html', 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_oP12_62_2c_c.Co2Si.html',
'Notes': '-', 'Notes': '-',
'Pearsons Symbol': 'oP12', 'Pearsons Symbol': 'oP12',
'Prototype': 'Co2Si', 'Prototype': 'Co2Si',
...@@ -3646,7 +3646,7 @@ structure_types_by_spacegroup = { ...@@ -3646,7 +3646,7 @@ structure_types_by_spacegroup = {
[0.0, 0.0, 1.445e-09]], [0.0, 0.0, 1.445e-09]],
'normalized_wyckoff': {'c': {'X_0': 2, 'X_1': 1, 'X_2': 1}}}, 'normalized_wyckoff': {'c': {'X_0': 2, 'X_1': 1, 'X_2': 1}}},
{'aflow_prototype_id': 'AB_oP8_62_c_c', {'aflow_prototype_id': 'AB_oP8_62_c_c',
'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_oP8_62_c_c.html', 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_oP8_62_c_c.GeS.html',
'Notes': '-', 'Notes': '-',
'Pearsons Symbol': 'oP8', 'Pearsons Symbol': 'oP8',
'Prototype': 'GeS', 'Prototype': 'GeS',
...@@ -3678,7 +3678,7 @@ structure_types_by_spacegroup = { ...@@ -3678,7 +3678,7 @@ structure_types_by_spacegroup = {
[0.0, 0.0, 4.2990000000000004e-10]], [0.0, 0.0, 4.2990000000000004e-10]],
'normalized_wyckoff': {'c': {'X_0': 1, 'X_1': 1}}}, 'normalized_wyckoff': {'c': {'X_0': 1, 'X_1': 1}}},
{'aflow_prototype_id': 'A2B_oP12_62_2c_c', {'aflow_prototype_id': 'A2B_oP12_62_2c_c',
'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_oP12_62_2c_c.html', 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_oP12_62_2c_c.HgCl2.html',
'Notes': '-', 'Notes': '-',
'Pearsons Symbol': 'oP12', 'Pearsons Symbol': 'oP12',
'Prototype': 'HgCl2', 'Prototype': 'HgCl2',
...@@ -3731,7 +3731,7 @@ structure_types_by_spacegroup = { ...@@ -3731,7 +3731,7 @@ structure_types_by_spacegroup = {
[0.0, 0.0, 5.936e-10]], [0.0, 0.0, 5.936e-10]],
'normalized_wyckoff': {'c': {'X_0': 2, 'X_1': 1}}}, 'normalized_wyckoff': {'c': {'X_0': 2, 'X_1': 1}}},
{'aflow_prototype_id': 'AB_oP8_62_c_c', {'aflow_prototype_id': 'AB_oP8_62_c_c',
'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_oP8_62_c_c.html', 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_oP8_62_c_c.MnP.html',
'Notes': '-', 'Notes': '-',
'Pearsons Symbol': 'oP8', 'Pearsons Symbol': 'oP8',
'Prototype': 'MnP', 'Prototype': 'MnP',
...@@ -3805,7 +3805,7 @@ structure_types_by_spacegroup = { ...@@ -3805,7 +3805,7 @@ structure_types_by_spacegroup = {
[0.0, 0.0, 4.887e-10]], [0.0, 0.0, 4.887e-10]],
'normalized_wyckoff': {'c': {'X_0': 1, 'X_1': 1}}}, 'normalized_wyckoff': {'c': {'X_0': 1, 'X_1': 1}}},
{'aflow_prototype_id': 'A2B_oP12_62_2c_c', {'aflow_prototype_id': 'A2B_oP12_62_2c_c',
'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_oP12_62_2c_c.html', 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A2B_oP12_62_2c_c.PbCl2.html',
'Notes': '-', 'Notes': '-',
'Pearsons Symbol': 'oP12', 'Pearsons Symbol': 'oP12',
'Prototype': 'PbCl2', 'Prototype': 'PbCl2',
...@@ -3909,7 +3909,7 @@ structure_types_by_spacegroup = { ...@@ -3909,7 +3909,7 @@ structure_types_by_spacegroup = {
[0.0, 0.0, 1.12e-09]], [0.0, 0.0, 1.12e-09]],
'normalized_wyckoff': {'c': {'X_0': 3, 'X_1': 2}}}, 'normalized_wyckoff': {'c': {'X_0': 3, 'X_1': 2}}},
{'aflow_prototype_id': 'AB_oP8_62_c_c', {'aflow_prototype_id': 'AB_oP8_62_c_c',
'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_oP8_62_c_c.html', 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_oP8_62_c_c.SnS.html',
'Notes': '-', 'Notes': '-',
'Pearsons Symbol': 'oP8', 'Pearsons Symbol': 'oP8',
'Prototype': 'SSn', 'Prototype': 'SSn',
...@@ -4158,7 +4158,7 @@ structure_types_by_spacegroup = { ...@@ -4158,7 +4158,7 @@ structure_types_by_spacegroup = {
[0.0, 0.0, 4.5259000000000004e-10]], [0.0, 0.0, 4.5259000000000004e-10]],
'normalized_wyckoff': {'f': {'X_0': 1}}}, 'normalized_wyckoff': {'f': {'X_0': 1}}},
{'aflow_prototype_id': 'A_oC8_64_f', {'aflow_prototype_id': 'A_oC8_64_f',
'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_oC8_64_f.html', 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_oC8_64_f.I.html',
'Notes': '-', 'Notes': '-',
'Pearsons Symbol': 'oC8', 'Pearsons Symbol': 'oC8',
'Prototype': 'I2', 'Prototype': 'I2',
...@@ -4176,7 +4176,7 @@ structure_types_by_spacegroup = { ...@@ -4176,7 +4176,7 @@ structure_types_by_spacegroup = {
[0.0, 0.0, 9.78e-10]], [0.0, 0.0, 9.78e-10]],
'normalized_wyckoff': {'f': {'X_0': 1}}}, 'normalized_wyckoff': {'f': {'X_0': 1}}},
{'aflow_prototype_id': 'A_oC8_64_f', {'aflow_prototype_id': 'A_oC8_64_f',
'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_oC8_64_f.html', 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_oC8_64_f.P.html',
'Notes': 'black phosphorus', 'Notes': 'black phosphorus',
'Pearsons Symbol': 'oC8', 'Pearsons Symbol': 'oC8',
'Prototype': 'P', 'Prototype': 'P',
...@@ -8451,7 +8451,7 @@ structure_types_by_spacegroup = { ...@@ -8451,7 +8451,7 @@ structure_types_by_spacegroup = {
2.56984e-11]], 2.56984e-11]],
'normalized_wyckoff': {'c': {'X_1': 2}, 'e': {'X_0': 3}}}, 'normalized_wyckoff': {'c': {'X_1': 2}, 'e': {'X_0': 3}}},
{'aflow_prototype_id': 'ABC3_hR10_167_a_b_e', {'aflow_prototype_id': 'ABC3_hR10_167_a_b_e',
'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/ABC3_hR10_167_a_b_e.html', 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/ABC3_hR10_167_a_b_e.CaCO3.html',
'Notes': 'calcite', 'Notes': 'calcite',
'Pearsons Symbol': 'hR10', 'Pearsons Symbol': 'hR10',
'Prototype': 'CCaO3', 'Prototype': 'CCaO3',
...@@ -8489,7 +8489,7 @@ structure_types_by_spacegroup = { ...@@ -8489,7 +8489,7 @@ structure_types_by_spacegroup = {
'b': {'X_2': 1}, 'b': {'X_2': 1},
'e': {'X_0': 3}}}, 'e': {'X_0': 3}}},
{'aflow_prototype_id': 'ABC3_hR10_167_a_b_e', {'aflow_prototype_id': 'ABC3_hR10_167_a_b_e',
'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/ABC3_hR10_167_a_b_e.html', 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/ABC3_hR10_167_a_b_e.LiNbO3.html',
'Notes': 'paraelectric phase', 'Notes': 'paraelectric phase',
'Pearsons Symbol': 'hR10', 'Pearsons Symbol': 'hR10',
'Prototype': 'LiNbO3', 'Prototype': 'LiNbO3',
...@@ -9995,7 +9995,7 @@ structure_types_by_spacegroup = { ...@@ -9995,7 +9995,7 @@ structure_types_by_spacegroup = {
4.2147500000000004e-10, 4.2147500000000004e-10,
-4.2147500000000004e-10]]}], -4.2147500000000004e-10]]}],
198: [{'aflow_prototype_id': 'AB_cP8_198_a_a', 198: [{'aflow_prototype_id': 'AB_cP8_198_a_a',
'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_cP8_198_a_a.html', 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_cP8_198_a_a.alpha-CO.html',
'Notes': '-', 'Notes': '-',
'Pearsons Symbol': 'cP8', 'Pearsons Symbol': 'cP8',
'Prototype': 'CO', 'Prototype': 'CO',
...@@ -10019,7 +10019,7 @@ structure_types_by_spacegroup = { ...@@ -10019,7 +10019,7 @@ structure_types_by_spacegroup = {
[0.0, 0.0, 5.63e-10]], [0.0, 0.0, 5.63e-10]],
'normalized_wyckoff': {'a': {'X_0': 1, 'X_1': 1}}}, 'normalized_wyckoff': {'a': {'X_0': 1, 'X_1': 1}}},
{'aflow_prototype_id': 'AB_cP8_198_a_a', {'aflow_prototype_id': 'AB_cP8_198_a_a',
'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_cP8_198_a_a.html', 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/AB_cP8_198_a_a.FeSi.html',
'Notes': '-', 'Notes': '-',
'Pearsons Symbol': 'cP8', 'Pearsons Symbol': 'cP8',
'Prototype': 'FeSi', 'Prototype': 'FeSi',
......
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