diff --git a/common/python/nomadcore/structure_types.py b/common/python/nomadcore/structure_types.py index 08c4bb7a856d63ba19770bd13a59b595ee4a7a21..40a4b8971b7784067438e1a07e73c93339383197 100644 --- a/common/python/nomadcore/structure_types.py +++ b/common/python/nomadcore/structure_types.py @@ -2870,7 +2870,7 @@ structure_types_by_spacegroup = { 'normalized_wyckoff': {'c': {'X_0': 1}, 'd': {'X_1': 1, 'X_2': 1, 'X_3': 1}}}], 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': '-', 'Pearsons Symbol': 'oP6', 'Prototype': 'CFe2', @@ -2890,7 +2890,7 @@ structure_types_by_spacegroup = { [0.0, 0.0, 2.83e-10]], 'normalized_wyckoff': {'a': {'X_1': 1}, 'g': {'X_0': 2}}}, {'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': '-', 'Pearsons Symbol': 'oP6', 'Prototype': 'CaCl2', @@ -2914,7 +2914,7 @@ structure_types_by_spacegroup = { [0.0, 0.0, 4.2000000000000005e-10]], 'normalized_wyckoff': {'a': {'X_1': 1}, 'g': {'X_0': 2}}}, {'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', 'Pearsons Symbol': 'oP6', 'Prototype': 'FeS2', @@ -3151,7 +3151,7 @@ structure_types_by_spacegroup = { [0.0, 0.0, 5.138e-10]], 'normalized_wyckoff': {'c': {'X_0': 2, 'X_1': 1}}}], 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': '-', 'Pearsons Symbol': 'oP8', 'Prototype': 'BFe', @@ -3554,7 +3554,7 @@ structure_types_by_spacegroup = { 'c': {'X_0': 1, 'X_2': 1}, 'd': {'X_0': 2}}}, {'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': '-', 'Pearsons Symbol': 'oP12', 'Prototype': 'Co2Si', @@ -3646,7 +3646,7 @@ structure_types_by_spacegroup = { [0.0, 0.0, 1.445e-09]], 'normalized_wyckoff': {'c': {'X_0': 2, 'X_1': 1, 'X_2': 1}}}, {'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': '-', 'Pearsons Symbol': 'oP8', 'Prototype': 'GeS', @@ -3678,7 +3678,7 @@ structure_types_by_spacegroup = { [0.0, 0.0, 4.2990000000000004e-10]], 'normalized_wyckoff': {'c': {'X_0': 1, 'X_1': 1}}}, {'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': '-', 'Pearsons Symbol': 'oP12', 'Prototype': 'HgCl2', @@ -3731,7 +3731,7 @@ structure_types_by_spacegroup = { [0.0, 0.0, 5.936e-10]], 'normalized_wyckoff': {'c': {'X_0': 2, 'X_1': 1}}}, {'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': '-', 'Pearsons Symbol': 'oP8', 'Prototype': 'MnP', @@ -3805,7 +3805,7 @@ structure_types_by_spacegroup = { [0.0, 0.0, 4.887e-10]], 'normalized_wyckoff': {'c': {'X_0': 1, 'X_1': 1}}}, {'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': '-', 'Pearsons Symbol': 'oP12', 'Prototype': 'PbCl2', @@ -3909,7 +3909,7 @@ structure_types_by_spacegroup = { [0.0, 0.0, 1.12e-09]], 'normalized_wyckoff': {'c': {'X_0': 3, 'X_1': 2}}}, {'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': '-', 'Pearsons Symbol': 'oP8', 'Prototype': 'SSn', @@ -4158,7 +4158,7 @@ structure_types_by_spacegroup = { [0.0, 0.0, 4.5259000000000004e-10]], 'normalized_wyckoff': {'f': {'X_0': 1}}}, {'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': '-', 'Pearsons Symbol': 'oC8', 'Prototype': 'I2', @@ -4176,7 +4176,7 @@ structure_types_by_spacegroup = { [0.0, 0.0, 9.78e-10]], 'normalized_wyckoff': {'f': {'X_0': 1}}}, {'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', 'Pearsons Symbol': 'oC8', 'Prototype': 'P', @@ -8451,7 +8451,7 @@ structure_types_by_spacegroup = { 2.56984e-11]], 'normalized_wyckoff': {'c': {'X_1': 2}, 'e': {'X_0': 3}}}, {'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', 'Pearsons Symbol': 'hR10', 'Prototype': 'CCaO3', @@ -8489,7 +8489,7 @@ structure_types_by_spacegroup = { 'b': {'X_2': 1}, 'e': {'X_0': 3}}}, {'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', 'Pearsons Symbol': 'hR10', 'Prototype': 'LiNbO3', @@ -9995,7 +9995,7 @@ structure_types_by_spacegroup = { 4.2147500000000004e-10, -4.2147500000000004e-10]]}], 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': '-', 'Pearsons Symbol': 'cP8', 'Prototype': 'CO', @@ -10019,7 +10019,7 @@ structure_types_by_spacegroup = { [0.0, 0.0, 5.63e-10]], 'normalized_wyckoff': {'a': {'X_0': 1, 'X_1': 1}}}, {'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': '-', 'Pearsons Symbol': 'cP8', 'Prototype': 'FeSi',