Aflow Prototype
GET /third-parties/AflowPrototype/?format=api&ordering=id&page=10
{ "count": 288, "next": "https://simmate.org/third-parties/AflowPrototype/?format=api&ordering=id&page=11", "previous": "https://simmate.org/third-parties/AflowPrototype/?format=api&ordering=id&page=9", "results": [ { "id": 109, "created_at": "2022-09-04T14:35:36.468186Z", "updated_at": "2022-09-04T14:35:36.468201Z", "structure_string": "V4 Zn5\n1.0\n0.000000 0.000000 3.220000\n-4.455000 4.455000 1.610000\n-4.455000 -4.455000 1.610000\nV Zn\n4 5\ndirect\n0.348000 0.652000 0.652000 V\n0.652000 0.348000 0.348000 V\n0.000000 0.652000 0.348000 V\n0.000000 0.348000 0.652000 V\n0.000000 0.000000 0.000000 Zn\n0.328000 1.000000 0.344000 Zn\n0.328000 0.344000 1.000000 Zn\n0.672000 0.656000 1.000000 Zn\n0.672000 1.000000 0.656000 Zn\n", "nsites": 9, "nelements": 2, "elements": [ "V", "Zn" ], "chemical_system": "V-Zn", "density": 6.896166326107721, "density_atomic": 0.07041435821995037, "volume": 127.814841, "volume_molar": 8.552432930211323, "formula_full": "V4 Zn5", "formula_reduced": "V4Zn5", "formula_anonymous": "A4B5", "mineral_name": null, "aflow_id": "A4B5_tI18_139_i_ah", "pearson_symbol": "tI18", "strukturbericht_symbol": "None", "nsites_wyckoff": 3, "spacegroup": 139 }, { "id": 110, "created_at": "2022-09-04T14:35:36.446871Z", "updated_at": "2022-09-04T14:35:36.446887Z", "structure_string": "Sn1\n1.0\n0.000000 0.000000 -2.985600\n-1.603100 -2.776651 -0.000000\n-1.603100 2.776651 0.000000\nSn\n1\ndirect\n0.000000 0.000000 0.000000 Sn\n", "nsites": 1, "nelements": 1, "elements": [ "Sn" ], "chemical_system": "Sn", "density": 7.416395373722182, "density_atomic": 0.03762326416291991, "volume": 26.57929933111872, "volume_molar": 16.00642818741708, "formula_full": "Sn1", "formula_reduced": "Sn", "formula_anonymous": "A", "mineral_name": "Hg_xSn", "aflow_id": "A_hP1_191_a", "pearson_symbol": "hP1", "strukturbericht_symbol": "A_f", "nsites_wyckoff": 1, "spacegroup": 191 }, { "id": 111, "created_at": "2022-09-04T14:35:36.463822Z", "updated_at": "2022-09-04T14:35:36.463844Z", "structure_string": "Li2 B2 C2\n1.0\n-1.376000 -2.383302 -0.000000\n-1.376000 2.383302 0.000000\n0.000000 0.000000 -7.058000\nLi B C\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.666670 0.333340 0.750000 B\n0.333340 0.666670 0.250000 B\n0.666670 0.333340 0.250000 C\n0.333340 0.666670 0.750000 C\n", "nsites": 6, "nelements": 3, "elements": [ "Li", "B", "C" ], "chemical_system": "B-C-Li", "density": 2.135218181846053, "density_atomic": 0.1296110680364872, "volume": 46.292342860032, "volume_molar": 4.646316746888227, "formula_full": "Li2 B2 C2", "formula_reduced": "LiBC", "formula_anonymous": "ABC", "mineral_name": null, "aflow_id": "ABC_hP6_194_c_d_a", "pearson_symbol": "hP6", "strukturbericht_symbol": "None", "nsites_wyckoff": 3, "spacegroup": 194 }, { "id": 112, "created_at": "2022-09-04T14:35:36.460590Z", "updated_at": "2022-09-04T14:35:36.460633Z", "structure_string": "Ni3 S3\n1.0\n0.000000 0.000000 -3.149900\n-0.000000 -5.553532 1.049967\n-4.809500 2.776766 1.049967\nNi S\n3 3\ndirect\n0.999810 0.000000 0.263430 Ni\n0.999810 0.263430 1.000000 Ni\n0.736380 0.736570 0.736570 Ni\n0.271200 1.000000 0.662810 S\n0.271200 0.662810 0.000000 S\n0.608390 0.337190 0.337190 S\n", "nsites": 6, "nelements": 2, "elements": [ "Ni", "S" ], "chemical_system": "Ni-S", "density": 5.373920149588261, "density_atomic": 0.07131572082585094, "volume": 84.1329223138846, "volume_molar": 8.444338345405967, "formula_full": "Ni3 S3", "formula_reduced": "NiS", "formula_anonymous": "AB", "mineral_name": "Millerite", "aflow_id": "AB_hR6_160_b_b", "pearson_symbol": "hR6", "strukturbericht_symbol": "B13", "nsites_wyckoff": 2, "spacegroup": 160 }, { "id": 113, "created_at": "2022-09-04T14:35:36.521027Z", "updated_at": "2022-09-04T14:35:36.521038Z", "structure_string": "Ti2 O4\n1.0\n-0.000000 -0.000000 2.957400\n4.592200 -0.000000 0.000000\n-0.000000 4.592200 0.000000\nTi O\n2 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.304960 0.304960 O\n0.500000 0.804960 0.195040 O\n0.500000 0.195040 0.804960 O\n0.000000 0.695040 0.695040 O\n", "nsites": 6, "nelements": 2, "elements": [ "Ti", "O" ], "chemical_system": "O-Ti", "density": 4.252930467602608, "density_atomic": 0.09620543183908406, "volume": 62.366540904215995, "volume_molar": 6.25966813399144, "formula_full": "Ti2 O4", "formula_reduced": "TiO2", "formula_anonymous": "AB2", "mineral_name": "Rutile", "aflow_id": "A2B_tP6_136_f_a", "pearson_symbol": "tP6", "strukturbericht_symbol": "C4", "nsites_wyckoff": 2, "spacegroup": 136 }, { "id": 114, "created_at": "2022-09-04T14:35:36.536722Z", "updated_at": "2022-09-04T14:35:36.536739Z", "structure_string": "Cu4 O2\n1.0\n4.267000 0.000000 0.000000\n-0.000000 4.267000 0.000000\n0.000000 0.000000 4.267000\nCu O\n4 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.250000 0.250000 0.250000 O\n0.750000 0.750000 0.750000 O\n", "nsites": 6, "nelements": 2, "elements": [ "Cu", "O" ], "chemical_system": "Cu-O", "density": 6.11680586890705, "density_atomic": 0.07722951754657972, "volume": 77.69050216300002, "volume_molar": 7.797718995677844, "formula_full": "Cu4 O2", "formula_reduced": "Cu2O", "formula_anonymous": "AB2", "mineral_name": "Cuprite", "aflow_id": "A2B_cP6_224_b_a", "pearson_symbol": "cP6", "strukturbericht_symbol": "C3", "nsites_wyckoff": 2, "spacegroup": 224 }, { "id": 115, "created_at": "2022-09-04T14:35:36.550535Z", "updated_at": "2022-09-04T14:35:36.550556Z", "structure_string": "La4\n1.0\n-1.885000 -3.264916 -0.000000\n-1.885000 3.264916 0.000000\n0.000000 0.000000 -12.130000\nLa\n4\ndirect\n0.000000 0.000000 0.000000 La\n0.000000 0.000000 0.500000 La\n0.666670 0.333340 0.750000 La\n0.333340 0.666670 0.250000 La\n", "nsites": 4, "nelements": 1, "elements": [ "La" ], "chemical_system": "La", "density": 6.179513335827329, "density_atomic": 0.026790808993706047, "volume": 149.30493517160002, "volume_molar": 22.478383394151255, "formula_full": "La4", "formula_reduced": "La", "formula_anonymous": "A", "mineral_name": "alpha La", "aflow_id": "A_hP4_194_ac", "pearson_symbol": "hP4", "strukturbericht_symbol": "A3'", "nsites_wyckoff": 2, "spacegroup": 194 }, { "id": 116, "created_at": "2022-09-04T14:35:36.561451Z", "updated_at": "2022-09-04T14:35:36.561472Z", "structure_string": "Mg4 Zn8\n1.0\n-2.611500 -4.523251 -0.000000\n-2.611500 4.523251 0.000000\n0.000000 0.000000 -8.566000\nMg Zn\n4 8\ndirect\n0.666670 0.333340 0.937140 Mg\n0.333340 0.666670 0.437140 Mg\n0.333340 0.666670 0.062860 Mg\n0.666670 0.333330 0.562860 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.169520 0.339040 0.750000 Zn\n0.339040 0.169520 0.250000 Zn\n0.169520 0.830480 0.750000 Zn\n0.830480 0.660960 0.250000 Zn\n0.660960 0.830480 0.750000 Zn\n0.830480 0.169520 0.250000 Zn\n", "nsites": 12, "nelements": 2, "elements": [ "Mg", "Zn" ], "chemical_system": "Mg-Zn", "density": 5.091391582382087, "density_atomic": 0.059296964571301236, "volume": 202.371235808718, "volume_molar": 10.155900565127101, "formula_full": "Mg4 Zn8", "formula_reduced": "MgZn2", "formula_anonymous": "AB2", "mineral_name": "Hexagonal Laves", "aflow_id": "AB2_hP12_194_f_ah", "pearson_symbol": "hP12", "strukturbericht_symbol": "C14", "nsites_wyckoff": 3, "spacegroup": 194 }, { "id": 117, "created_at": "2022-09-04T14:35:36.593471Z", "updated_at": "2022-09-04T14:35:36.593495Z", "structure_string": "O2\n1.0\n1.997479 1.716500 -1.818841\n-1.997479 1.716500 1.818841\n1.997479 -1.716500 3.260159\nO\n2\ndirect\n0.106000 0.067000 0.173000 O\n0.894000 0.933000 0.827000 O\n", "nsites": 2, "nelements": 1, "elements": [ "O" ], "chemical_system": "O", "density": 1.5256276496209566, "density_atomic": 0.05742430626486231, "volume": 34.828457322153, "volume_molar": 10.487093622382902, "formula_full": "O2", "formula_reduced": "O", "formula_anonymous": "A", "mineral_name": "alpha oxygen", "aflow_id": "A_mC4_12_i", "pearson_symbol": "mC4", "strukturbericht_symbol": "None", "nsites_wyckoff": 1, "spacegroup": 12 }, { "id": 118, "created_at": "2022-09-04T14:35:36.610582Z", "updated_at": "2022-09-04T14:35:36.610613Z", "structure_string": "Zr4 O8\n1.0\n5.083813 0.000000 -0.826130\n-0.000000 5.211600 0.000000\n0.000000 0.000000 5.317300\nZr O\n4 8\ndirect\n0.275400 0.039500 0.208300 Zr\n0.724600 0.539500 0.291700 Zr\n0.724600 0.960500 0.791700 Zr\n0.275400 0.460500 0.708300 Zr\n0.070000 0.331700 0.344700 O\n0.930000 0.831700 0.155300 O\n0.930000 0.668300 0.655300 O\n0.070000 0.168300 0.844700 O\n0.449600 0.756900 0.479200 O\n0.550400 0.256900 0.020800 O\n0.550400 0.243100 0.520800 O\n0.449600 0.743100 0.979200 O\n", "nsites": 12, "nelements": 2, "elements": [ "Zr", "O" ], "chemical_system": "O-Zr", "density": 5.809628410527317, "density_atomic": 0.08517839246530948, "volume": 140.88079914031283, "volume_molar": 7.070033356702091, "formula_full": "Zr4 O8", "formula_reduced": "ZrO2", "formula_anonymous": "AB2", "mineral_name": "Baddeleyite", "aflow_id": "A2B_mP12_14_2e_e", "pearson_symbol": "mP12", "strukturbericht_symbol": "C43", "nsites_wyckoff": 3, "spacegroup": 14 }, { "id": 119, "created_at": "2022-09-04T14:35:36.623393Z", "updated_at": "2022-09-04T14:35:36.623424Z", "structure_string": "Si8 O16\n1.0\n-6.158330 0.000000 -3.569192\n-6.158330 0.000000 3.604408\n-3.079165 6.184600 1.802204\nO Si\n16 8\ndirect\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.750000 0.133700 0.232600 O\n0.250000 0.866300 0.767400 O\n0.059900 0.550700 0.246800 O\n0.440100 0.702500 0.246800 O\n0.940100 0.449300 0.753200 O\n0.559900 0.297500 0.753200 O\n0.671800 0.913000 0.207600 O\n0.828200 0.379400 0.207600 O\n0.328200 0.087000 0.792400 O\n0.171800 0.620600 0.792400 O\n0.521800 0.249300 0.423400 O\n0.978200 0.827300 0.423400 O\n0.478200 0.750700 0.576600 O\n0.021800 0.172700 0.576600 O\n0.927730 0.823610 0.216660 Si\n0.572270 0.459730 0.216660 Si\n0.072270 0.176390 0.783340 Si\n0.427730 0.540270 0.783340 Si\n0.459230 0.875960 0.315980 Si\n0.040770 0.308060 0.315980 Si\n0.540770 0.124040 0.684020 Si\n0.959230 0.691940 0.684020 Si\n", "nsites": 24, "nelements": 2, "elements": [ "O", "Si" ], "chemical_system": "O-Si", "density": 2.9213820750410986, "density_atomic": 0.08784145313693328, "volume": 273.2195238458448, "volume_molar": 6.855693462416056, "formula_full": "Si8 O16", "formula_reduced": "SiO2", "formula_anonymous": "AB2", "mineral_name": "Coesite", "aflow_id": "A2B_mC48_15_ae3f_2f", "pearson_symbol": "mC48", "strukturbericht_symbol": "None", "nsites_wyckoff": 7, "spacegroup": 15 }, { "id": 120, "created_at": "2022-09-04T14:35:36.688721Z", "updated_at": "2022-09-04T14:35:36.688737Z", "structure_string": "Be5 Au1\n1.0\n-3.050000 -3.050000 0.000000\n-3.050000 0.000000 -3.050000\n0.000000 -3.050000 -3.050000\nAu Be\n1 5\ndirect\n0.000000 0.000000 0.000000 Au\n0.750000 0.750000 0.750000 Be\n0.375000 0.375000 0.375000 Be\n0.375000 0.375000 0.875000 Be\n0.375000 0.875000 0.375000 Be\n0.875000 0.375000 0.375000 Be\n", "nsites": 6, "nelements": 2, "elements": [ "Au", "Be" ], "chemical_system": "Au-Be", "density": 7.082462128023247, "density_atomic": 0.10573572237323832, "volume": 56.745249999999984, "volume_molar": 5.6954647160231655, "formula_full": "Be5 Au1", "formula_reduced": "Be5Au", "formula_anonymous": "AB5", "mineral_name": null, "aflow_id": "AB5_cF24_216_a_ce", "pearson_symbol": "cF24", "strukturbericht_symbol": "C15_b", "nsites_wyckoff": 3, "spacegroup": 216 } ] }