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=-nelements&page=4",
"previous": "https://simmate.org/third-parties/AflowPrototype/?format=api&ordering=-nelements&page=2",
"results": [
{
"id": 277,
"created_at": "2022-09-04T14:35:36.928355Z",
"updated_at": "2022-09-04T14:35:36.928383Z",
"structure_string": "C2 N2 Cl2\n1.0\n0.000000 -3.980000 -0.000000\n-5.680000 0.000000 -0.000000\n0.000000 0.000000 -5.740000\nC N Cl\n2 2 2\ndirect\n0.750000 0.750000 0.850100 C\n0.250000 0.250000 0.149900 C\n0.750000 0.750000 0.374500 N\n0.250000 0.250000 0.625500 N\n0.750000 0.750000 0.576300 Cl\n0.250000 0.250000 0.423700 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-N",
"density": 1.573264822411745,
"density_atomic": 0.04623894858302901,
"volume": 129.76073599999998,
"volume_molar": 13.02395695521999,
"formula_full": "C2 N2 Cl2",
"formula_reduced": "CNCl",
"formula_anonymous": "ABC",
"mineral_name": "Cyanogen Chloride",
"aflow_id": "ABC_oP6_59_a_a_a",
"pearson_symbol": "oP6",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 3,
"spacegroup": 59
},
{
"id": 160,
"created_at": "2022-09-04T14:35:36.709740Z",
"updated_at": "2022-09-04T14:35:36.709755Z",
"structure_string": "Al2 P2 S8\n1.0\n5.610000 0.000000 0.000000\n-0.000000 5.670000 0.000000\n0.000000 0.000000 9.050000\nAl P S\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 P\n0.000000 0.000000 0.500000 P\n0.200000 0.260000 0.125000 S\n0.200000 0.740000 0.875000 S\n0.800000 0.260000 0.875000 S\n0.800000 0.740000 0.125000 S\n0.740000 0.800000 0.630000 S\n0.740000 0.200000 0.370000 S\n0.260000 0.800000 0.370000 S\n0.260000 0.200000 0.630000 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Al",
"P",
"S"
],
"chemical_system": "Al-P-S",
"density": 2.148324870673867,
"density_atomic": 0.04168566621171973,
"volume": 287.868735,
"volume_molar": 14.446550354776157,
"formula_full": "Al2 P2 S8",
"formula_reduced": "AlPS4",
"formula_anonymous": "ABC4",
"mineral_name": null,
"aflow_id": "ABC4_oP12_16_ag_cd_2u",
"pearson_symbol": "oP12",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 6,
"spacegroup": 16
},
{
"id": 8,
"created_at": "2022-09-04T14:35:36.563765Z",
"updated_at": "2022-09-04T14:35:36.563786Z",
"structure_string": "Ca4 Ti4 O12\n1.0\n-0.000000 -0.000000 5.404300\n5.422400 -0.000000 0.000000\n-0.000000 7.651000 0.000000\nCa Ti O\n4 4 12\ndirect\n0.991600 0.487700 0.250000 Ca\n0.508400 0.987700 0.250000 Ca\n0.008400 0.512300 0.750000 Ca\n0.491600 0.012300 0.750000 Ca\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n1.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.058600 0.031300 0.250000 O\n0.441400 0.531300 0.250000 O\n0.941400 0.968700 0.750000 O\n0.558600 0.468700 0.750000 O\n0.213000 0.288000 0.537000 O\n0.287000 0.788000 0.963000 O\n0.787000 0.712000 0.037000 O\n0.713000 0.212000 0.463000 O\n0.787000 0.712000 0.463000 O\n0.713000 0.212000 0.037000 O\n0.213000 0.288000 0.963000 O\n0.287000 0.788000 0.537000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"O"
],
"chemical_system": "Ca-O-Ti",
"density": 4.0273314604888535,
"density_atomic": 0.08920327368570706,
"volume": 224.20701812432,
"volume_molar": 6.7510311126226314,
"formula_full": "Ca4 Ti4 O12",
"formula_reduced": "CaTiO3",
"formula_anonymous": "ABC3",
"mineral_name": "Orthorhombic Perovskite",
"aflow_id": "AB3C_oP20_62_c_cd_a",
"pearson_symbol": "oP20",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 4,
"spacegroup": 62
},
{
"id": 171,
"created_at": "2022-09-04T14:35:36.940350Z",
"updated_at": "2022-09-04T14:35:36.940376Z",
"structure_string": "Sr2 Cu2 O4\n1.0\n-3.577000 0.000000 -0.000000\n0.000000 0.000000 -3.918200\n1.788500 -8.171000 -0.000000\nCu O Sr\n2 4 2\ndirect\n0.938910 0.750000 0.877820 Cu\n0.061090 0.250000 0.122180 Cu\n0.055800 0.750000 0.111600 O\n0.944200 0.250000 0.888400 O\n0.820800 0.750000 0.641600 O\n0.179200 0.250000 0.358400 O\n0.669040 0.750000 0.338080 Sr\n0.330960 0.250000 0.661920 Sr\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"O",
"Sr"
],
"chemical_system": "Cu-O-Sr",
"density": 5.311783411032592,
"density_atomic": 0.06985688822071857,
"volume": 114.5198448394,
"volume_molar": 8.62068281795283,
"formula_full": "Sr2 Cu2 O4",
"formula_reduced": "SrCuO2",
"formula_anonymous": "ABC2",
"mineral_name": null,
"aflow_id": "AB2C_oC16_63_c_2c_c",
"pearson_symbol": "oC16",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 4,
"spacegroup": 63
},
{
"id": 204,
"created_at": "2022-09-04T14:35:36.942366Z",
"updated_at": "2022-09-04T14:35:36.942396Z",
"structure_string": "Mn12 Fe4 O24\n1.0\n-4.700000 -4.700000 4.700000\n-4.700000 4.700000 -4.700000\n4.700000 -4.700000 -4.700000\nFe Mn O\n4 12 24\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 1.000000 Fe\n0.500000 1.000000 0.500000 Fe\n0.034400 0.784400 0.750000 Mn\n0.465600 0.715600 0.250000 Mn\n0.750000 0.034400 0.784400 Mn\n0.250000 0.465600 0.715600 Mn\n0.784400 0.750000 0.034400 Mn\n0.715600 0.250000 0.465600 Mn\n0.965600 0.215600 0.250000 Mn\n0.534400 0.284400 0.750000 Mn\n0.250000 0.965600 0.215600 Mn\n0.750000 0.534400 0.284400 Mn\n0.215600 0.250000 0.965600 Mn\n0.284400 0.750000 0.534400 Mn\n0.562000 0.537000 0.775000 O\n0.762000 0.287000 0.725000 O\n0.738000 0.963000 0.025000 O\n0.938000 0.213000 0.475000 O\n0.775000 0.562000 0.537000 O\n0.025000 0.738000 0.963000 O\n0.475000 0.938000 0.213000 O\n0.725000 0.762000 0.287000 O\n0.537000 0.775000 0.562000 O\n0.213000 0.475000 0.938000 O\n0.287000 0.725000 0.762000 O\n0.963000 0.025000 0.738000 O\n0.438000 0.463000 0.225000 O\n0.238000 0.713000 0.275000 O\n0.262000 0.037000 0.975000 O\n0.062000 0.787000 0.525000 O\n0.225000 0.438000 0.463000 O\n0.975000 0.262000 0.037000 O\n0.525000 0.062000 0.787000 O\n0.275000 0.238000 0.713000 O\n0.463000 0.225000 0.438000 O\n0.787000 0.525000 0.062000 O\n0.713000 0.275000 0.238000 O\n0.037000 0.975000 0.262000 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Fe",
"Mn",
"O"
],
"chemical_system": "Fe-Mn-O",
"density": 5.064570341086498,
"density_atomic": 0.09631777159203643,
"volume": 415.2920000000001,
"volume_molar": 6.252367201254801,
"formula_full": "Mn12 Fe4 O24",
"formula_reduced": "Mn3FeO6",
"formula_anonymous": "AB3C6",
"mineral_name": "Bixbyite (Mn,Fe)2O4",
"aflow_id": "AB3C6_cI80_206_a_d_e",
"pearson_symbol": "cI80",
"strukturbericht_symbol": "D5_3",
"nsites_wyckoff": 3,
"spacegroup": 206
},
{
"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": 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": 224,
"created_at": "2022-09-04T14:35:36.564391Z",
"updated_at": "2022-09-04T14:35:36.564405Z",
"structure_string": "B1 P1 O4\n1.0\n-4.340400 0.000000 0.000000\n-0.000000 4.340400 0.000000\n2.170200 -2.170200 -3.325100\nB O P\n1 4 1\ndirect\n0.750000 0.250000 0.500000 B\n0.371800 0.884400 0.255600 O\n0.883800 0.371200 0.255600 O\n0.115600 0.116200 0.744400 O\n0.628800 0.628200 0.744400 O\n0.000000 0.000000 0.000000 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"B",
"O",
"P"
],
"chemical_system": "B-O-P",
"density": 2.804129956565944,
"density_atomic": 0.0957826900118294,
"volume": 62.64179883921599,
"volume_molar": 6.287295501156055,
"formula_full": "B1 P1 O4",
"formula_reduced": "BPO4",
"formula_anonymous": "ABC4",
"mineral_name": null,
"aflow_id": "AB4C_tI12_82_c_g_a",
"pearson_symbol": "tI12",
"strukturbericht_symbol": "H0_7",
"nsites_wyckoff": 3,
"spacegroup": 82
},
{
"id": 151,
"created_at": "2022-09-04T14:35:36.537500Z",
"updated_at": "2022-09-04T14:35:36.537516Z",
"structure_string": "Fe2 Cu2 S4\n1.0\n5.289000 -0.000000 -0.000000\n-0.000000 5.289000 0.000000\n-2.644500 -2.644500 5.211500\nCu Fe S\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 0.000000 Fe\n0.750000 0.250000 0.500000 Fe\n0.382400 0.375000 0.250000 S\n0.867600 0.875000 0.250000 S\n0.625000 0.132400 0.750000 S\n0.125000 0.617600 0.750000 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"Fe",
"S"
],
"chemical_system": "Cu-Fe-S",
"density": 4.180757562345477,
"density_atomic": 0.054875704758757006,
"volume": 145.7840046915,
"volume_molar": 10.974147460108917,
"formula_full": "Fe2 Cu2 S4",
"formula_reduced": "FeCuS2",
"formula_anonymous": "ABC2",
"mineral_name": "Chalcopyrite",
"aflow_id": "ABC2_tI16_122_a_b_d",
"pearson_symbol": "tI16",
"strukturbericht_symbol": "E1_1",
"nsites_wyckoff": 3,
"spacegroup": 122
},
{
"id": 39,
"created_at": "2022-09-04T14:35:36.493493Z",
"updated_at": "2022-09-04T14:35:36.493514Z",
"structure_string": "Mn1 Al1 Cu2\n1.0\n-2.975000 -2.975000 0.000000\n-2.975000 0.000000 -2.975000\n0.000000 -2.975000 -2.975000\nAl Cu Mn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Cu\n0.500000 0.500000 0.500000 Mn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Cu",
"Mn"
],
"chemical_system": "Al-Cu-Mn",
"density": 6.590654530564426,
"density_atomic": 0.07595722421445097,
"volume": 52.66121875,
"volume_molar": 7.928331797641281,
"formula_full": "Mn1 Al1 Cu2",
"formula_reduced": "MnAlCu2",
"formula_anonymous": "ABC2",
"mineral_name": "Heusler",
"aflow_id": "AB2C_cF16_225_a_c_b",
"pearson_symbol": "cF16",
"strukturbericht_symbol": "L2_1",
"nsites_wyckoff": 3,
"spacegroup": 225
},
{
"id": 187,
"created_at": "2022-09-04T14:35:36.553590Z",
"updated_at": "2022-09-04T14:35:36.553611Z",
"structure_string": "Ag2 Te8 Au2\n1.0\n0.000000 4.478000 0.000000\n5.088629 -0.000000 7.258167\n5.088629 -0.000000 -7.362633\nAg Te Au\n2 8 2\ndirect\n0.518200 0.250000 0.750000 Ag\n0.481800 0.750000 0.250000 Ag\n0.027800 0.000300 0.298300 Te\n0.027800 0.499700 0.201700 Te\n0.972200 0.999700 0.701700 Te\n0.972200 0.500300 0.798300 Te\n0.404500 0.236600 0.045500 Te\n0.404500 0.263400 0.454500 Te\n0.595500 0.763400 0.954500 Te\n0.595500 0.736600 0.545500 Te\n0.000000 0.000000 0.000000 Au\n0.000000 0.500000 0.500000 Au\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ag",
"Te",
"Au"
],
"chemical_system": "Ag-Au-Te",
"density": 8.126541780676376,
"density_atomic": 0.03601846759224755,
"volume": 333.16242478296954,
"volume_molar": 16.719591816549624,
"formula_full": "Ag2 Te8 Au2",
"formula_reduced": "AgTe4Au",
"formula_anonymous": "ABC4",
"mineral_name": "Sylvanite",
"aflow_id": "ABC4_mP12_13_e_a_2g",
"pearson_symbol": "mP12",
"strukturbericht_symbol": "E1_b",
"nsites_wyckoff": 4,
"spacegroup": 13
},
{
"id": 76,
"created_at": "2022-09-04T14:35:36.498263Z",
"updated_at": "2022-09-04T14:35:36.498296Z",
"structure_string": "Pr8 P8 S32\n1.0\n-10.914000 0.000000 0.000000\n-0.000000 10.914000 0.000000\n5.457000 -5.457000 -9.680500\nP Pr S\n8 8 32\ndirect\n0.712500 0.750000 0.500000 P\n0.787500 0.250000 0.500000 P\n0.750000 0.212500 0.000000 P\n0.250000 0.287500 0.000000 P\n0.287500 0.250000 0.500000 P\n0.212500 0.750000 0.500000 P\n0.250000 0.787500 1.000000 P\n0.750000 0.712500 1.000000 P\n0.625000 0.875000 0.250000 Pr\n0.875000 0.625000 0.750000 Pr\n0.125000 0.375000 0.250000 Pr\n0.375000 0.125000 0.750000 Pr\n0.875000 0.125000 0.750000 Pr\n0.625000 0.375000 0.250000 Pr\n0.125000 0.875000 0.250000 Pr\n0.375000 0.625000 0.750000 Pr\n0.838500 0.406400 0.173400 S\n0.165100 0.093600 0.826600 S\n0.661500 0.233000 0.826600 S\n0.334900 0.267000 0.173400 S\n0.733000 0.665100 0.326600 S\n0.906400 0.834900 0.673400 S\n0.767000 0.338500 0.673400 S\n0.593600 0.161500 0.326600 S\n0.161500 0.593600 0.826600 S\n0.834900 0.906400 0.173400 S\n0.338500 0.767000 0.173400 S\n0.665100 0.733000 0.826600 S\n0.267000 0.334900 0.673400 S\n0.093600 0.165100 0.326600 S\n0.233000 0.661500 0.326600 S\n0.406400 0.838500 0.673400 S\n0.905200 0.109200 0.995000 S\n0.410200 0.390800 0.005000 S\n0.594800 0.114200 0.005000 S\n0.089800 0.385800 0.995000 S\n0.614200 0.910200 0.505000 S\n0.609200 0.589800 0.495000 S\n0.885800 0.405200 0.495000 S\n0.890800 0.094800 0.505000 S\n0.094800 0.890800 0.005000 S\n0.589800 0.609200 0.995000 S\n0.405200 0.885800 0.995000 S\n0.910200 0.614200 0.005000 S\n0.385800 0.089800 0.495000 S\n0.390800 0.410200 0.505000 S\n0.114200 0.594800 0.505000 S\n0.109200 0.905200 0.495000 S\n",
"nsites": 48,
"nelements": 3,
"elements": [
"P",
"Pr",
"S"
],
"chemical_system": "P-Pr-S",
"density": 3.4577956020684817,
"density_atomic": 0.04162704180686958,
"volume": 1153.096590978,
"volume_molar": 14.466895793220129,
"formula_full": "Pr8 P8 S32",
"formula_reduced": "PrPS4",
"formula_anonymous": "ABC4",
"mineral_name": null,
"aflow_id": "ABC4_tI96_142_e_ab_2g",
"pearson_symbol": "tI96",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 5,
"spacegroup": 142
}
]
}