HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 288,
"next": "https://simmate.org/third-parties/AflowPrototype/?format=api&page=19",
"previous": "https://simmate.org/third-parties/AflowPrototype/?format=api&page=17",
"results": [
{
"id": 47,
"created_at": "2022-09-04T14:35:36.637412Z",
"updated_at": "2022-09-04T14:35:36.637435Z",
"structure_string": "Te2 Au1\n1.0\n-3.594499 -2.203500 0.002509\n-3.594499 2.203500 0.002509\n0.000000 0.000000 -5.069000\nAu Te\n1 2\ndirect\n0.000000 0.000000 0.000000 Au\n0.312100 0.312100 0.711100 Te\n0.687900 0.687900 0.288900 Te\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Au",
"Te"
],
"chemical_system": "Au-Te",
"density": 9.350693852891402,
"density_atomic": 0.037360918607787674,
"volume": 80.297811504417,
"volume_molar": 16.118824119984886,
"formula_full": "Te2 Au1",
"formula_reduced": "Te2Au",
"formula_anonymous": "AB2",
"mineral_name": "Calaverite",
"aflow_id": "AB2_mC6_12_a_i",
"pearson_symbol": "mC6",
"strukturbericht_symbol": "C34",
"nsites_wyckoff": 2,
"spacegroup": 12
},
{
"id": 227,
"created_at": "2022-09-04T14:35:36.636374Z",
"updated_at": "2022-09-04T14:35:36.636388Z",
"structure_string": "Fe4 S8\n1.0\n5.417000 0.000000 0.000000\n-0.000000 5.417000 0.000000\n0.000000 0.000000 5.417000\nFe S\n4 8\ndirect\n0.001000 0.002000 0.003000 Fe\n0.496600 0.000100 0.503600 Fe\n0.500100 0.502000 0.001100 Fe\n0.999400 0.501300 0.503800 Fe\n0.385700 0.383200 0.384000 S\n0.114900 0.611400 0.884600 S\n0.885400 0.115700 0.614300 S\n0.615300 0.886500 0.114100 S\n0.615100 0.613200 0.613700 S\n0.885400 0.381800 0.114900 S\n0.114700 0.885600 0.384100 S\n0.385700 0.116100 0.884200 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Fe",
"S"
],
"chemical_system": "Fe-S",
"density": 5.013295921729485,
"density_atomic": 0.07549266194446057,
"volume": 158.95584671299997,
"volume_molar": 7.977120696088911,
"formula_full": "Fe4 S8",
"formula_reduced": "FeS2",
"formula_anonymous": "AB2",
"mineral_name": "pyrite",
"aflow_id": "AB2_aP12_1_4a_8a",
"pearson_symbol": "aP12",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 12,
"spacegroup": 205
},
{
"id": 262,
"created_at": "2022-09-04T14:35:36.627790Z",
"updated_at": "2022-09-04T14:35:36.627813Z",
"structure_string": "Cu6 S6\n1.0\n-1.988000 -3.443317 -0.000000\n-1.988000 3.443317 0.000000\n0.000000 0.000000 -16.382000\nCu S\n6 6\ndirect\n0.666670 0.333340 0.250000 Cu\n0.333340 0.666670 0.750000 Cu\n0.666670 0.333340 0.892760 Cu\n0.333340 0.666670 0.392760 Cu\n0.333340 0.666670 0.107240 Cu\n0.666670 0.333330 0.607240 Cu\n0.666670 0.333340 0.750000 S\n0.333340 0.666670 0.250000 S\n0.000000 0.000000 0.936300 S\n0.000000 0.000000 0.436300 S\n0.000000 0.000000 0.063700 S\n0.000000 0.000000 0.563700 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cu",
"S"
],
"chemical_system": "Cu-S",
"density": 4.2473485731964775,
"density_atomic": 0.05350457786952048,
"volume": 224.279874317744,
"volume_molar": 11.255374773138026,
"formula_full": "Cu6 S6",
"formula_reduced": "CuS",
"formula_anonymous": "AB",
"mineral_name": "Covellite",
"aflow_id": "AB_hP12_194_df_ce",
"pearson_symbol": "hP12",
"strukturbericht_symbol": "B18",
"nsites_wyckoff": 4,
"spacegroup": 194
},
{
"id": 191,
"created_at": "2022-09-04T14:35:36.627156Z",
"updated_at": "2022-09-04T14:35:36.627177Z",
"structure_string": "Nb2 P2\n1.0\n3.325000 -0.000000 -0.000000\n-0.000000 3.325000 0.000000\n-1.662500 -1.662500 5.690000\nNb P\n2 2\ndirect\n0.125000 0.875000 0.250000 Nb\n0.875000 0.125000 0.750000 Nb\n0.375000 0.625000 0.750000 P\n0.625000 0.375000 0.250000 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nb",
"P"
],
"chemical_system": "Nb-P",
"density": 6.540112545733867,
"density_atomic": 0.06358642751678806,
"volume": 62.90650625000001,
"volume_molar": 9.470795883932995,
"formula_full": "Nb2 P2",
"formula_reduced": "NbP",
"formula_anonymous": "AB",
"mineral_name": "alpha Niobium phosphide",
"aflow_id": "AB_tI8_141_a_b",
"pearson_symbol": "tI8",
"strukturbericht_symbol": "\"40\"",
"nsites_wyckoff": 2,
"spacegroup": 141
},
{
"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": 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": 45,
"created_at": "2022-09-04T14:35:36.622692Z",
"updated_at": "2022-09-04T14:35:36.622714Z",
"structure_string": "C4\n1.0\n-1.232000 -2.133887 -0.000000\n-1.232000 2.133887 0.000000\n0.000000 0.000000 -6.711000\nC\n4\ndirect\n0.000000 0.000000 0.750000 C\n0.000000 0.000000 0.250000 C\n0.666670 0.333340 0.750000 C\n0.333340 0.666670 0.250000 C\n",
"nsites": 4,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.2608827914992027,
"density_atomic": 0.11336020728995899,
"volume": 35.285750578848,
"volume_molar": 5.3123939202018535,
"formula_full": "C4",
"formula_reduced": "C",
"formula_anonymous": "A",
"mineral_name": "Graphite",
"aflow_id": "A_hP4_194_bc",
"pearson_symbol": "hP4",
"strukturbericht_symbol": "A9",
"nsites_wyckoff": 2,
"spacegroup": 194
},
{
"id": 155,
"created_at": "2022-09-04T14:35:36.620646Z",
"updated_at": "2022-09-04T14:35:36.620673Z",
"structure_string": "Cu4 Sb4 S8\n1.0\n0.000000 -3.795800 -0.000000\n-6.018000 0.000000 -0.000000\n0.000000 0.000000 -14.495000\nCu Sb S\n4 4 8\ndirect\n0.750000 0.747800 0.172400 Cu\n0.750000 0.247800 0.327600 Cu\n0.250000 0.252200 0.827600 Cu\n0.250000 0.752200 0.672400 Cu\n0.750000 0.774000 0.936670 Sb\n0.750000 0.274000 0.563330 Sb\n0.250000 0.226000 0.063330 Sb\n0.250000 0.726000 0.436670 Sb\n0.750000 0.377900 0.905000 S\n0.750000 0.877900 0.595000 S\n0.250000 0.622100 0.095000 S\n0.250000 0.122100 0.405000 S\n0.750000 0.129400 0.175600 S\n0.750000 0.629400 0.324400 S\n0.250000 0.870600 0.824400 S\n0.250000 0.370600 0.675600 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cu",
"Sb",
"S"
],
"chemical_system": "Cu-S-Sb",
"density": 5.003737264078229,
"density_atomic": 0.04832215099785079,
"volume": 331.11108817799993,
"volume_molar": 12.462484876279296,
"formula_full": "Cu4 Sb4 S8",
"formula_reduced": "CuSbS2",
"formula_anonymous": "ABC2",
"mineral_name": "Chalcostibite",
"aflow_id": "AB2C_oP16_62_c_2c_c",
"pearson_symbol": "oP16",
"strukturbericht_symbol": "F5_6",
"nsites_wyckoff": 4,
"spacegroup": 62
},
{
"id": 190,
"created_at": "2022-09-04T14:35:36.619613Z",
"updated_at": "2022-09-04T14:35:36.619637Z",
"structure_string": "Pu8 C12\n1.0\n-4.067500 -4.067500 4.067500\n-4.067500 4.067500 -4.067500\n4.067500 -4.067500 -4.067500\nC Pu\n12 8\ndirect\n0.710400 0.460400 0.750000 C\n0.789600 0.039600 0.250000 C\n0.750000 0.710400 0.460400 C\n0.250000 0.789600 0.039600 C\n0.460400 0.750000 0.710400 C\n0.039600 0.250000 0.789600 C\n0.210400 0.250000 0.960400 C\n0.289600 0.750000 0.539600 C\n0.960400 0.210400 0.250000 C\n0.539600 0.289600 0.750000 C\n0.250000 0.960400 0.210400 C\n0.750000 0.539600 0.289600 C\n0.901600 0.901600 0.901600 Pu\n0.000000 0.500000 0.598400 Pu\n0.500000 0.598400 0.000000 Pu\n0.598400 1.000000 0.500000 Pu\n0.401600 0.401600 0.401600 Pu\n1.000000 0.500000 0.098400 Pu\n0.500000 0.098400 0.000000 Pu\n0.098400 1.000000 0.500000 Pu\n",
"nsites": 20,
"nelements": 2,
"elements": [
"C",
"Pu"
],
"chemical_system": "C-Pu",
"density": 12.930767514447428,
"density_atomic": 0.07429974436083998,
"volume": 269.17993018749996,
"volume_molar": 8.10519714678049,
"formula_full": "Pu8 C12",
"formula_reduced": "Pu2C3",
"formula_anonymous": "A2B3",
"mineral_name": "Plutonium carbide",
"aflow_id": "A3B2_cI40_220_d_c",
"pearson_symbol": "cI40",
"strukturbericht_symbol": "D5_c",
"nsites_wyckoff": 2,
"spacegroup": 220
},
{
"id": 226,
"created_at": "2022-09-04T14:35:36.614604Z",
"updated_at": "2022-09-04T14:35:36.614617Z",
"structure_string": "Ni2 As2\n1.0\n-1.809500 -3.134146 -0.000000\n-1.809500 3.134146 0.000000\n0.000000 0.000000 -5.044000\nNi As\n2 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.666670 0.333340 0.750000 As\n0.333340 0.666670 0.250000 As\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ni",
"As"
],
"chemical_system": "As-Ni",
"density": 7.756243314428873,
"density_atomic": 0.06991608580539806,
"volume": 57.211440742456,
"volume_molar": 8.613383730836723,
"formula_full": "Ni2 As2",
"formula_reduced": "NiAs",
"formula_anonymous": "AB",
"mineral_name": null,
"aflow_id": "AB_hP4_194_c_a",
"pearson_symbol": "hP4",
"strukturbericht_symbol": "B8_1",
"nsites_wyckoff": 2,
"spacegroup": 194
},
{
"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": 156,
"created_at": "2022-09-04T14:35:36.611347Z",
"updated_at": "2022-09-04T14:35:36.611377Z",
"structure_string": "Pd8 S8\n1.0\n6.429000 0.000000 0.000000\n-0.000000 6.429000 0.000000\n0.000000 0.000000 6.611000\nPd S\n8 8\ndirect\n0.000000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.000000 0.250000 Pd\n0.000000 0.000000 0.750000 Pd\n0.467790 0.257130 0.000000 Pd\n0.532210 0.742870 0.000000 Pd\n0.742870 0.467790 0.500000 Pd\n0.257130 0.532210 0.500000 Pd\n0.193610 0.307540 0.229040 S\n0.806390 0.692460 0.229040 S\n0.692460 0.193610 0.729040 S\n0.307540 0.806390 0.729040 S\n0.806390 0.692460 0.770960 S\n0.193610 0.307540 0.770960 S\n0.307540 0.806390 0.270960 S\n0.692460 0.193610 0.270960 S\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Pd",
"S"
],
"chemical_system": "Pd-S",
"density": 6.73267748710726,
"density_atomic": 0.05855526812731275,
"volume": 273.24612305100004,
"volume_molar": 10.284541344608769,
"formula_full": "Pd8 S8",
"formula_reduced": "PdS",
"formula_anonymous": "AB",
"mineral_name": null,
"aflow_id": "AB_tP16_84_cej_k",
"pearson_symbol": "tP16",
"strukturbericht_symbol": "B34",
"nsites_wyckoff": 4,
"spacegroup": 84
}
]
}