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=-formula_anonymous&page=4",
"previous": "https://simmate.org/third-parties/AflowPrototype/?format=api&ordering=-formula_anonymous&page=2",
"results": [
{
"id": 108,
"created_at": "2022-09-04T14:35:37.214238Z",
"updated_at": "2022-09-04T14:35:37.214256Z",
"structure_string": "K4 As4 Se8\n1.0\n6.445070 0.000000 -1.189956\n-2.227984 6.052494 -1.187756\n0.000000 0.000000 12.627100\nK As Se\n4 4 8\ndirect\n0.033800 0.047600 0.259900 K\n0.083100 0.607200 0.497400 K\n0.986900 0.094900 0.758300 K\n0.544900 0.144300 0.997800 K\n0.326700 0.582000 0.177000 As\n0.565000 0.986800 0.442400 As\n0.521700 0.388300 0.676700 As\n0.925600 0.625400 0.942600 As\n0.978900 0.521300 0.207300 Se\n0.290700 0.595600 0.981700 Se\n0.938400 0.060200 0.499800 Se\n0.506800 0.982500 0.244800 Se\n0.459600 0.039700 0.708000 Se\n0.532600 0.352000 0.481800 Se\n0.000000 0.000000 0.000000 Se\n0.922000 0.569000 0.744800 Se\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"As",
"Se"
],
"chemical_system": "As-K-Se",
"density": 3.6670463242811824,
"density_atomic": 0.03248286720101532,
"volume": 492.56735561508214,
"volume_molar": 18.539437183093757,
"formula_full": "K4 As4 Se8",
"formula_reduced": "KAsSe2",
"formula_anonymous": "ABC2",
"mineral_name": null,
"aflow_id": "ABC2_aP16_1_4a_4a_8a",
"pearson_symbol": "aP16",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 16,
"spacegroup": 9
},
{
"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": 148,
"created_at": "2022-09-04T14:35:36.455787Z",
"updated_at": "2022-09-04T14:35:36.455796Z",
"structure_string": "Ca1 Cu1 O2\n1.0\n-0.000000 -0.000000 3.199500\n3.861100 -0.000000 0.000000\n-0.000000 3.861100 0.000000\nCa Cu O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Cu\n0.000000 1.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Cu",
"O"
],
"chemical_system": "Ca-Cu-O",
"density": 4.721473863119766,
"density_atomic": 0.0838601775164476,
"volume": 47.698444225395,
"volume_molar": 7.181168628958446,
"formula_full": "Ca1 Cu1 O2",
"formula_reduced": "CaCuO2",
"formula_anonymous": "ABC2",
"mineral_name": null,
"aflow_id": "ABC2_tP4_123_d_a_f",
"pearson_symbol": "tP4",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 3,
"spacegroup": 123
},
{
"id": 174,
"created_at": "2022-09-04T14:35:37.045074Z",
"updated_at": "2022-09-04T14:35:37.045098Z",
"structure_string": "Na1 Cr1 S2\n1.0\n-1.778050 -3.079673 -0.000000\n1.778050 -3.079673 -0.000000\n-0.000000 -2.053115 6.455000\nCr Na S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Na\n0.733300 0.733300 0.800100 S\n0.266700 0.266700 0.199900 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"Na",
"S"
],
"chemical_system": "Cr-Na-S",
"density": 3.2677660321272444,
"density_atomic": 0.056582896329129904,
"volume": 70.6927403774615,
"volume_molar": 10.643040831580219,
"formula_full": "Na1 Cr1 S2",
"formula_reduced": "NaCrS2",
"formula_anonymous": "ABC2",
"mineral_name": "Caswellsilverite",
"aflow_id": "ABC2_hR4_166_a_b_c",
"pearson_symbol": "hR4",
"strukturbericht_symbol": "F5_1",
"nsites_wyckoff": 3,
"spacegroup": 166
},
{
"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": 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": 78,
"created_at": "2022-09-04T14:35:36.545402Z",
"updated_at": "2022-09-04T14:35:36.545425Z",
"structure_string": "Ce1 Ni1 C2\n1.0\n0.000000 -2.276000 -3.081000\n0.000000 -2.276000 3.081000\n-3.875000 0.000000 -0.000000\nC Ce Ni\n2 1 1\ndirect\n0.553600 0.136400 0.500000 C\n0.863600 0.446400 0.500000 C\n0.000000 0.000000 0.000000 Ce\n0.385600 0.614400 0.500000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"C",
"Ce",
"Ni"
],
"chemical_system": "C-Ce-Ni",
"density": 6.808613136523336,
"density_atomic": 0.07360279943831496,
"volume": 54.345758999999994,
"volume_molar": 8.18194526017592,
"formula_full": "Ce1 Ni1 C2",
"formula_reduced": "CeNiC2",
"formula_anonymous": "ABC2",
"mineral_name": null,
"aflow_id": "A2BC_oC8_38_e_a_b",
"pearson_symbol": "oC8",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 3,
"spacegroup": 38
},
{
"id": 263,
"created_at": "2022-09-04T14:35:36.642622Z",
"updated_at": "2022-09-04T14:35:36.642646Z",
"structure_string": "Al2 Cr4 C2\n1.0\n-1.430000 -2.476833 -0.000000\n-1.430000 2.476833 0.000000\n0.000000 0.000000 -12.820000\nAl Cr C\n2 4 2\ndirect\n0.666670 0.333340 0.250000 Al\n0.333340 0.666670 0.750000 Al\n0.666670 0.333340 0.914000 Cr\n0.333340 0.666670 0.414000 Cr\n0.333340 0.666670 0.086000 Cr\n0.666670 0.333330 0.586000 Cr\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"Cr",
"C"
],
"chemical_system": "Al-C-Cr",
"density": 5.228981243553344,
"density_atomic": 0.08809255440461683,
"volume": 90.8135773116,
"volume_molar": 6.83615181861997,
"formula_full": "Al2 Cr4 C2",
"formula_reduced": "AlCr2C",
"formula_anonymous": "ABC2",
"mineral_name": "H-Phase",
"aflow_id": "ABC2_hP8_194_d_a_f",
"pearson_symbol": "hP8",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 3,
"spacegroup": 194
},
{
"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": 217,
"created_at": "2022-09-04T14:35:36.456931Z",
"updated_at": "2022-09-04T14:35:36.456950Z",
"structure_string": "Ni4 Sb4 S4\n1.0\n5.881000 0.000000 0.000000\n-0.000000 5.881000 0.000000\n0.000000 0.000000 5.881000\nNi Sb S\n4 4 4\ndirect\n0.976000 0.976000 0.976000 Ni\n0.476000 0.524000 0.024000 Ni\n0.024000 0.476000 0.524000 Ni\n0.524000 0.024000 0.476000 Ni\n0.875000 0.875000 0.875000 Sb\n0.375000 0.625000 0.125000 Sb\n0.125000 0.375000 0.625000 Sb\n0.625000 0.125000 0.375000 Sb\n0.390000 0.390000 0.390000 S\n0.890000 0.110000 0.610000 S\n0.610000 0.890000 0.110000 S\n0.110000 0.610000 0.890000 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ni",
"Sb",
"S"
],
"chemical_system": "Ni-S-Sb",
"density": 6.939882032014934,
"density_atomic": 0.058996698359810036,
"volume": 203.40121284100005,
"volume_molar": 10.20758945402685,
"formula_full": "Ni4 Sb4 S4",
"formula_reduced": "NiSbS",
"formula_anonymous": "ABC",
"mineral_name": "Ullmanite",
"aflow_id": "ABC_cP12_198_a_a_a",
"pearson_symbol": "cP12",
"strukturbericht_symbol": "F0_1",
"nsites_wyckoff": 3,
"spacegroup": 198
},
{
"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": 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
}
]
}