HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 288,
"next": "https://simmate.org/third-parties/AflowPrototype/?format=api&ordering=density&page=21",
"previous": "https://simmate.org/third-parties/AflowPrototype/?format=api&ordering=density&page=19",
"results": [
{
"id": 30,
"created_at": "2022-09-04T14:35:37.063578Z",
"updated_at": "2022-09-04T14:35:37.063594Z",
"structure_string": "Cr1 Fe18 Ni8\n1.0\n-5.280000 -5.280000 0.000000\n-5.280000 0.000000 -5.280000\n0.000000 -5.280000 -5.280000\nCr Fe Ni\n1 18 8\ndirect\n0.000000 0.000000 0.000000 Cr\n0.675000 0.675000 0.325000 Fe\n0.325000 0.325000 0.675000 Fe\n0.325000 0.675000 0.675000 Fe\n0.675000 0.325000 0.325000 Fe\n0.675000 0.325000 0.675000 Fe\n0.325000 0.675000 0.325000 Fe\n0.000000 1.000000 0.680000 Fe\n1.000000 1.000000 0.320000 Fe\n0.680000 0.320000 0.000000 Fe\n0.320000 0.680000 1.000000 Fe\n0.680000 1.000000 1.000000 Fe\n1.000000 0.680000 0.320000 Fe\n1.000000 0.320000 0.680000 Fe\n0.320000 0.000000 1.000000 Fe\n0.000000 0.680000 1.000000 Fe\n0.680000 0.000000 0.320000 Fe\n0.000000 0.320000 0.000000 Fe\n0.320000 0.000000 0.680000 Fe\n0.341670 0.341670 0.341670 Ni\n0.341670 0.341670 0.974990 Ni\n0.341670 0.974990 0.341670 Ni\n0.974990 0.341670 0.341670 Ni\n0.658330 0.658330 0.658330 Ni\n0.658330 0.658330 0.025010 Ni\n0.658330 0.025010 0.658330 Ni\n0.025010 0.658330 0.658330 Ni\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Cr",
"Fe",
"Ni"
],
"chemical_system": "Cr-Fe-Ni",
"density": 8.611646647469897,
"density_atomic": 0.09171323253193087,
"volume": 294.39590400000003,
"volume_molar": 6.566272492797952,
"formula_full": "Cr1 Fe18 Ni8",
"formula_reduced": "Cr(Fe9Ni4)2",
"formula_anonymous": "AB8C18",
"mineral_name": null,
"aflow_id": "AB18C8_cF108_225_a_eh_f",
"pearson_symbol": "cF108",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 4,
"spacegroup": 225
},
{
"id": 46,
"created_at": "2022-09-04T14:35:36.623329Z",
"updated_at": "2022-09-04T14:35:36.623351Z",
"structure_string": "Co4 As12\n1.0\n-3.790000 -3.790000 3.790000\n-3.790000 3.790000 -3.790000\n3.790000 -3.790000 -3.790000\nAs Co\n12 4\ndirect\n0.656900 0.150300 0.807200 As\n0.343100 0.849700 0.192800 As\n0.656900 0.849700 0.506600 As\n0.343100 0.150300 0.493400 As\n0.807200 0.656900 0.150300 As\n0.506600 0.656900 0.849700 As\n0.493400 0.343100 0.150300 As\n0.192800 0.343100 0.849700 As\n0.150300 0.807200 0.656900 As\n0.150300 0.493400 0.343100 As\n0.849700 0.192800 0.343100 As\n0.849700 0.506600 0.656900 As\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n",
"nsites": 16,
"nelements": 2,
"elements": [
"As",
"Co"
],
"chemical_system": "As-Co",
"density": 8.653419024102714,
"density_atomic": 0.07347546807501015,
"volume": 217.759756,
"volume_molar": 8.196124390595342,
"formula_full": "Co4 As12",
"formula_reduced": "CoAs3",
"formula_anonymous": "AB3",
"mineral_name": "Skutterudite",
"aflow_id": "A3B_cI32_204_g_c",
"pearson_symbol": "cI32",
"strukturbericht_symbol": "D0_2",
"nsites_wyckoff": 2,
"spacegroup": 204
},
{
"id": 261,
"created_at": "2022-09-04T14:35:36.613485Z",
"updated_at": "2022-09-04T14:35:36.613510Z",
"structure_string": "B4 Mo4\n1.0\n3.108000 -0.000000 -0.000000\n-0.000000 3.108000 0.000000\n-1.554000 -1.554000 8.470000\nB Mo\n4 4\ndirect\n0.227000 0.477000 0.454000 B\n0.773000 0.523000 0.546000 B\n0.523000 0.773000 0.046000 B\n0.477000 0.227000 0.954000 B\n0.071000 0.321000 0.142000 Mo\n0.929000 0.679000 0.858000 Mo\n0.679000 0.929000 0.358000 Mo\n0.321000 0.071000 0.642000 Mo\n",
"nsites": 8,
"nelements": 2,
"elements": [
"B",
"Mo"
],
"chemical_system": "B-Mo",
"density": 8.666337741760254,
"density_atomic": 0.0977787669860076,
"volume": 81.81735408000002,
"volume_molar": 6.158945286006506,
"formula_full": "B4 Mo4",
"formula_reduced": "BMo",
"formula_anonymous": "AB",
"mineral_name": "delta Molybdenum Boride",
"aflow_id": "AB_tI16_141_e_e",
"pearson_symbol": "tI16",
"strukturbericht_symbol": "B_g",
"nsites_wyckoff": 2,
"spacegroup": 141
},
{
"id": 267,
"created_at": "2022-09-04T14:35:36.711038Z",
"updated_at": "2022-09-04T14:35:36.711057Z",
"structure_string": "Ba1 Sb1 Pt1\n1.0\n-2.267500 -3.927425 -0.000000\n-2.267500 3.927425 0.000000\n0.000000 0.000000 -4.884000\nBa Sb Pt\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333330 0.666660 0.500000 Sb\n0.666670 0.333340 0.500000 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"Pt"
],
"chemical_system": "Ba-Pt-Sb",
"density": 8.669771481057554,
"density_atomic": 0.034487396311524816,
"volume": 86.9883006795,
"volume_molar": 17.461859705505088,
"formula_full": "Ba1 Sb1 Pt1",
"formula_reduced": "BaSbPt",
"formula_anonymous": "ABC",
"mineral_name": null,
"aflow_id": "ABC_hP3_187_a_d_f",
"pearson_symbol": "hP3",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 3,
"spacegroup": 187
},
{
"id": 68,
"created_at": "2022-09-04T14:35:37.056535Z",
"updated_at": "2022-09-04T14:35:37.056561Z",
"structure_string": "Cr1 Fe27 Ni3 Mo1\n1.0\n7.040000 0.000000 0.000000\n-0.000000 7.040000 0.000000\n0.000000 0.000000 7.040000\nCr Fe Ni Mo\n1 27 3 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.245000 0.245000 Fe\n0.000000 0.755000 0.755000 Fe\n0.000000 0.245000 0.755000 Fe\n0.000000 0.755000 0.245000 Fe\n0.245000 0.245000 0.000000 Fe\n0.245000 0.755000 0.000000 Fe\n0.755000 0.245000 0.000000 Fe\n0.755000 0.755000 0.000000 Fe\n0.245000 0.000000 0.245000 Fe\n0.245000 0.000000 0.755000 Fe\n0.755000 0.000000 0.755000 Fe\n0.755000 0.000000 0.245000 Fe\n0.500000 0.260000 0.260000 Fe\n0.500000 0.740000 0.740000 Fe\n0.500000 0.260000 0.740000 Fe\n0.500000 0.740000 0.260000 Fe\n0.260000 0.260000 0.500000 Fe\n0.260000 0.740000 0.500000 Fe\n0.740000 0.260000 0.500000 Fe\n0.740000 0.740000 0.500000 Fe\n0.260000 0.500000 0.260000 Fe\n0.260000 0.500000 0.740000 Fe\n0.740000 0.500000 0.740000 Fe\n0.740000 0.500000 0.260000 Fe\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Mo\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Cr",
"Fe",
"Ni",
"Mo"
],
"chemical_system": "Cr-Fe-Mo-Ni",
"density": 8.717994595564663,
"density_atomic": 0.09171323253193088,
"volume": 348.913664,
"volume_molar": 6.566272492797951,
"formula_full": "Cr1 Fe27 Ni3 Mo1",
"formula_reduced": "CrFe27Ni3Mo",
"formula_anonymous": "ABC3D27",
"mineral_name": null,
"aflow_id": "AB27CD3_cP32_221_a_dij_b_c",
"pearson_symbol": "cP32",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 6,
"spacegroup": 221
},
{
"id": 209,
"created_at": "2022-09-04T14:35:37.105014Z",
"updated_at": "2022-09-04T14:35:37.105046Z",
"structure_string": "Bi1 F3\n1.0\n-2.926500 -2.926500 0.000000\n-2.926500 0.000000 -2.926500\n0.000000 -2.926500 -2.926500\nBi F\n1 3\ndirect\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 F\n0.750000 0.750000 0.750000 F\n0.250000 0.250000 0.250000 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Bi",
"F"
],
"chemical_system": "Bi-F",
"density": 8.810799721377432,
"density_atomic": 0.07979660425019669,
"volume": 50.12744636924999,
"volume_molar": 7.546863449374359,
"formula_full": "Bi1 F3",
"formula_reduced": "BiF3",
"formula_anonymous": "AB3",
"mineral_name": "alpha bismuth trifluoride",
"aflow_id": "AB3_cF16_225_a_bc",
"pearson_symbol": "cF16",
"strukturbericht_symbol": "D0_3",
"nsites_wyckoff": 3,
"spacegroup": 225
},
{
"id": 200,
"created_at": "2022-09-04T14:35:36.862807Z",
"updated_at": "2022-09-04T14:35:36.862827Z",
"structure_string": "Cd1 Te1\n1.0\n-2.810200 0.000000 -0.000000\n0.000000 0.000000 -3.026500\n0.000000 -5.258000 -0.000000\nCd Te\n1 1\ndirect\n1.000000 0.750000 0.500000 Cd\n0.000000 0.000000 0.000000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
"Te"
],
"chemical_system": "Cd-Te",
"density": 8.91213495686847,
"density_atomic": 0.044723059527209764,
"volume": 44.7196596374,
"volume_molar": 13.465404253785668,
"formula_full": "Cd1 Te1",
"formula_reduced": "CdTe",
"formula_anonymous": "AB",
"mineral_name": "High Pressure Cadmuum Telluride",
"aflow_id": "AB_oP2_25_b_a",
"pearson_symbol": "oP2",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 2,
"spacegroup": 25
},
{
"id": 254,
"created_at": "2022-09-04T14:35:36.474088Z",
"updated_at": "2022-09-04T14:35:36.474103Z",
"structure_string": "Pt3 O4\n1.0\n-3.113000 -3.113000 3.113000\n-3.113000 3.113000 -3.113000\n3.113000 -3.113000 -3.113000\nO Pt\n4 3\ndirect\n0.500000 0.500000 0.500000 O\n1.000000 1.000000 0.500000 O\n0.000000 0.500000 1.000000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n",
"nsites": 7,
"nelements": 2,
"elements": [
"O",
"Pt"
],
"chemical_system": "O-Pt",
"density": 8.934359731060523,
"density_atomic": 0.05800970896810872,
"volume": 120.66945558799999,
"volume_molar": 10.38126352833578,
"formula_full": "Pt3 O4",
"formula_reduced": "Pt3O4",
"formula_anonymous": "A3B4",
"mineral_name": null,
"aflow_id": "A4B3_cI14_229_c_b",
"pearson_symbol": "cI14",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 2,
"spacegroup": 229
},
{
"id": 165,
"created_at": "2022-09-04T14:35:36.837925Z",
"updated_at": "2022-09-04T14:35:36.837952Z",
"structure_string": "Cu1\n1.0\n-1.807455 -1.807455 0.000000\n-1.807455 0.000000 -1.807455\n0.000000 -1.807455 -1.807455\nCu\n1\ndirect\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cu"
],
"chemical_system": "Cu",
"density": 8.935211557037217,
"density_atomic": 0.0846774017805246,
"volume": 11.809526260523445,
"volume_molar": 7.111862944978861,
"formula_full": "Cu1",
"formula_reduced": "Cu",
"formula_anonymous": "A",
"mineral_name": "Copper",
"aflow_id": "A_cF4_225_a",
"pearson_symbol": "cF4",
"strukturbericht_symbol": "A1",
"nsites_wyckoff": 1,
"spacegroup": 225
},
{
"id": 83,
"created_at": "2022-09-04T14:35:36.755972Z",
"updated_at": "2022-09-04T14:35:36.756002Z",
"structure_string": "Sn8 Pd4\n1.0\n-0.000000 6.478000 0.000000\n6.478000 0.000000 0.000000\n0.000000 -3.239000 -6.077500\nPd Sn\n4 8\ndirect\n0.990000 0.000000 0.980000 Pd\n0.490000 0.500000 0.980000 Pd\n0.762000 0.000000 0.524000 Pd\n0.262000 0.500000 0.524000 Pd\n0.033000 0.342000 0.750000 Sn\n0.717000 0.658000 0.750000 Sn\n0.217000 0.842000 0.750000 Sn\n0.533000 0.158000 0.750000 Sn\n0.375000 0.250000 0.250000 Sn\n0.875000 0.750000 0.250000 Sn\n0.375000 0.750000 0.250000 Sn\n0.875000 0.250000 0.250000 Sn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pd",
"Sn"
],
"chemical_system": "Pd-Sn",
"density": 8.954856527388609,
"density_atomic": 0.0470515994464069,
"volume": 255.03915150999998,
"volume_molar": 12.799013914201554,
"formula_full": "Sn8 Pd4",
"formula_reduced": "Sn2Pd",
"formula_anonymous": "AB2",
"mineral_name": null,
"aflow_id": "AB2_oC24_41_2a_2b",
"pearson_symbol": "oC24",
"strukturbericht_symbol": "C_e",
"nsites_wyckoff": 4,
"spacegroup": 64
},
{
"id": 104,
"created_at": "2022-09-04T14:35:37.148539Z",
"updated_at": "2022-09-04T14:35:37.148554Z",
"structure_string": "Th1 H2\n1.0\n-2.050000 -2.050000 2.515000\n-2.050000 2.050000 -2.515000\n2.050000 -2.050000 -2.515000\nH Th\n2 1\ndirect\n0.500000 0.750000 0.250000 H\n0.500000 0.250000 0.750000 H\n0.000000 0.000000 0.000000 Th\n",
"nsites": 3,
"nelements": 2,
"elements": [
"H",
"Th"
],
"chemical_system": "H-Th",
"density": 9.193044258225838,
"density_atomic": 0.07096031780761003,
"volume": 42.27714999999999,
"volume_molar": 8.486631607721131,
"formula_full": "Th1 H2",
"formula_reduced": "ThH2",
"formula_anonymous": "AB2",
"mineral_name": null,
"aflow_id": "A2B_tI6_139_d_a",
"pearson_symbol": "tI6",
"strukturbericht_symbol": "L\\'2",
"nsites_wyckoff": 2,
"spacegroup": 139
},
{
"id": 210,
"created_at": "2022-09-04T14:35:37.127324Z",
"updated_at": "2022-09-04T14:35:37.127345Z",
"structure_string": "Cr8 Fe8 Ni8 Pd2 Rh4\n1.0\n-0.000000 -0.000000 4.558200\n8.796600 -0.000000 0.000000\n-0.000000 8.796600 0.000000\nCr Fe Ni Pd Rh\n8 8 8 2 4\ndirect\n1.000000 0.066090 0.739330 Cr\n0.500000 0.566090 0.760670 Cr\n0.500000 0.433910 0.239330 Cr\n1.000000 0.933910 0.260670 Cr\n1.000000 0.260670 0.933910 Cr\n0.500000 0.760670 0.566090 Cr\n0.500000 0.239330 0.433910 Cr\n1.000000 0.739330 0.066090 Cr\n0.252020 0.182670 0.182670 Fe\n0.247980 0.682670 0.317330 Fe\n0.247980 0.317330 0.682670 Fe\n0.252020 0.817330 0.817330 Fe\n0.747980 0.817330 0.817330 Fe\n0.752020 0.317330 0.682670 Fe\n0.752020 0.682670 0.317330 Fe\n0.747980 0.182670 0.182670 Fe\n1.000000 0.131220 0.463490 Ni\n0.500000 0.631220 0.036510 Ni\n0.500000 0.368780 0.963490 Ni\n0.000000 0.868780 0.536510 Ni\n1.000000 0.536510 0.868780 Ni\n0.500000 0.036510 0.631220 Ni\n0.500000 0.963490 0.368780 Ni\n1.000000 0.463490 0.131220 Ni\n0.500000 0.000000 0.000000 Pd\n1.000000 0.500000 0.500000 Pd\n1.000000 0.398640 0.398640 Rh\n0.500000 0.898640 0.101360 Rh\n0.500000 0.101360 0.898640 Rh\n1.000000 0.601360 0.601360 Rh\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Cr",
"Fe",
"Ni",
"Pd",
"Rh"
],
"chemical_system": "Cr-Fe-Ni-Pd-Rh",
"density": 9.212101438702115,
"density_atomic": 0.08505467504351757,
"volume": 352.71429800479194,
"volume_molar": 7.080317168831481,
"formula_full": "Cr8 Fe8 Ni8 Pd2 Rh4",
"formula_reduced": "Cr4Fe4Ni4PdRh2",
"formula_anonymous": "AB2C4D4E4",
"mineral_name": "sigma phase CrFe, different elements used to distinguish Wyckoff positions",
"aflow_id": "sigma_tP30_136_bf2ij",
"pearson_symbol": "tP30",
"strukturbericht_symbol": "D8_b",
"nsites_wyckoff": 5,
"spacegroup": 136
}
]
}