HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=3394",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=3392",
"results": [
{
"id": "jvasp-57361",
"created_at": "2022-09-04T14:37:44.262041Z",
"updated_at": "2022-09-04T14:37:44.262061Z",
"structure_string": "Mn2 Se2 O8\n1.0\n5.034415 0.024102 -0.000000\n-1.903836 4.660615 0.000000\n-0.000000 0.000000 6.728304\nMn Se O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.644755 0.355244 0.250000 Se\n0.355244 0.644754 0.750000 Se\n0.752965 0.247035 0.457201 O\n0.247035 0.752964 0.542798 O\n0.227488 0.278987 0.750000 O\n0.772511 0.721011 0.250000 O\n0.752965 0.247035 0.042798 O\n0.247035 0.752964 0.957201 O\n0.721012 0.772510 0.750000 O\n0.278988 0.227488 0.250000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"Se",
"O"
],
"chemical_system": "Mn-O-Se",
"density": 4.154980463062189,
"density_atomic": 0.07586385403961014,
"volume": 158.17809616862522,
"volume_molar": 7.938089668968981,
"formula_full": "Mn2 Se2 O8",
"formula_reduced": "MnSeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.66338243467433,
"spacegroup": 63
},
{
"id": "jvasp-41277",
"created_at": "2022-09-04T14:37:57.813078Z",
"updated_at": "2022-09-04T14:37:57.813112Z",
"structure_string": "Mg4 Al2 B4 Ir10\n1.0\n9.466933 -0.000000 0.000000\n-0.000000 9.466933 0.000000\n0.000000 -0.000000 2.941330\nMg Al B Ir\n4 2 4 10\ndirect\n0.176334 0.676333 0.000000 Mg\n0.323666 0.176334 0.000000 Mg\n0.676333 0.823666 0.000000 Mg\n0.823666 0.323666 0.000000 Mg\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.626138 0.126138 0.000000 B\n0.873862 0.626138 0.000000 B\n0.126138 0.373862 0.000000 B\n0.373862 0.873862 0.000000 B\n0.786518 0.071326 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.071326 0.213481 0.500000 Ir\n0.213481 0.928674 0.500000 Ir\n0.286519 0.428674 0.500000 Ir\n0.428674 0.713481 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.571326 0.286519 0.500000 Ir\n0.713481 0.571326 0.500000 Ir\n0.928674 0.786518 0.500000 Ir\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"Al",
"B",
"Ir"
],
"chemical_system": "Al-B-Ir-Mg",
"density": 13.33290946093777,
"density_atomic": 0.07586957234965835,
"volume": 263.61029040504485,
"volume_molar": 7.937491373018288,
"formula_full": "Mg4 Al2 B4 Ir10",
"formula_reduced": "Mg2AlB2Ir5",
"formula_anonymous": "AB2C2D5",
"energy_above_hull": 3.780784156666666,
"spacegroup": 127
},
{
"id": "jvasp-120845",
"created_at": "2022-09-04T14:38:54.728162Z",
"updated_at": "2022-09-04T14:38:54.728192Z",
"structure_string": "B2 Se1\n1.0\n4.893383 -0.318061 -0.756559\n1.359637 -3.736193 -0.003996\n2.336231 0.483470 -2.612279\nB Se\n2 1\ndirect\n0.901096 0.560135 0.520626 B\n0.456719 0.450272 0.059954 B\n0.877663 0.914005 0.001138 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"Se"
],
"chemical_system": "B-Se",
"density": 4.223974951156359,
"density_atomic": 0.07587054860124574,
"volume": 39.541034766562134,
"volume_molar": 7.9373892386763645,
"formula_full": "B2 Se1",
"formula_reduced": "B2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 3.2161695111111106,
"spacegroup": 1
},
{
"id": "jvasp-68264",
"created_at": "2022-09-04T14:35:49.690542Z",
"updated_at": "2022-09-04T14:35:49.690569Z",
"structure_string": "Be1 Re1 Ru2\n1.0\n-1.802568 1.802568 4.056388\n1.802568 -1.802568 4.056388\n1.802568 1.802568 -4.056388\nBe Re Ru\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Be\n0.750001 0.250000 0.500001 Re\n0.000000 0.000000 0.000000 Ru\n0.250000 0.750001 0.500001 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Re",
"Ru"
],
"chemical_system": "Be-Re-Ru",
"density": 12.515538940264957,
"density_atomic": 0.07587124256923117,
"volume": 52.72089746454424,
"volume_molar": 7.937316638125313,
"formula_full": "Be1 Re1 Ru2",
"formula_reduced": "BeReRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.465761275,
"spacegroup": 119
},
{
"id": "jvasp-106104",
"created_at": "2022-09-04T14:36:17.078759Z",
"updated_at": "2022-09-04T14:36:17.078790Z",
"structure_string": "Cr3 Ga1 Fe3 As2\n1.0\n3.787247 0.000000 0.000000\n0.000000 5.207752 -3.007708\n0.000000 0.000854 6.013860\nCr Ga Fe As\n3 1 3 2\ndirect\n0.500000 0.575933 -0.000000 Cr\n0.500000 0.424095 0.424120 Cr\n0.500000 0.999974 0.575878 Cr\n0.500000 0.000023 -0.000000 Ga\n0.000000 0.242517 -0.000000 Fe\n0.000000 0.757476 0.757497 Fe\n0.000000 0.999978 0.242502 Fe\n0.000000 0.333314 0.666666 As\n0.000000 0.666648 0.333333 As\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Cr",
"Ga",
"Fe",
"As"
],
"chemical_system": "As-Cr-Fe-Ga",
"density": 7.602521351376908,
"density_atomic": 0.0758716718924727,
"volume": 118.6213480672343,
"volume_molar": 7.9372717244648765,
"formula_full": "Cr3 Ga1 Fe3 As2",
"formula_reduced": "Cr3GaFe3As2",
"formula_anonymous": "AB2C3D3",
"energy_above_hull": 3.798110502777779,
"spacegroup": 189
},
{
"id": "jvasp-19869",
"created_at": "2022-09-04T14:35:59.655241Z",
"updated_at": "2022-09-04T14:35:59.655267Z",
"structure_string": "Pu2 Co4\n1.0\n4.172395 0.000000 2.408933\n1.390798 3.933772 2.408933\n0.000000 -0.000000 4.817867\nPu Co\n2 4\ndirect\n0.875000 0.875000 0.875000 Pu\n0.125000 0.125000 0.125000 Pu\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 -0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.499999 -0.000000 0.500000 Co\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pu",
"Co"
],
"chemical_system": "Co-Pu",
"density": 15.197702300012502,
"density_atomic": 0.07587554830185747,
"volume": 79.07685854380992,
"volume_molar": 7.936866216823865,
"formula_full": "Pu2 Co4",
"formula_reduced": "PuCo2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.310043933333333,
"spacegroup": 227
},
{
"id": "jvasp-119174",
"created_at": "2022-09-04T14:38:44.543023Z",
"updated_at": "2022-09-04T14:38:44.543057Z",
"structure_string": "La3 Y1 Sc4 O12\n1.0\n8.068653 -0.000000 0.000000\n0.000000 5.625440 0.015429\n-0.000000 -0.009880 5.807063\nLa Y Sc O\n3 1 4 12\ndirect\n-0.000000 0.990193 0.048873 La\n0.500000 0.489470 0.455979 La\n0.500000 0.014026 0.948943 La\n-0.000000 0.519041 0.559993 Y\n0.246735 0.498786 0.002485 Sc\n0.754447 0.002268 0.500036 Sc\n0.753264 0.498786 0.002485 Sc\n0.245552 0.002268 0.500036 Sc\n0.814477 0.692240 0.307853 O\n0.191876 0.793268 0.792981 O\n0.185523 0.692240 0.307853 O\n0.808123 0.793268 0.792981 O\n0.696006 0.297203 0.704227 O\n-0.000000 0.130129 0.465106 O\n0.500000 0.903168 0.529183 O\n0.500000 0.598995 0.037145 O\n0.700757 0.194196 0.197084 O\n-0.000000 0.399057 0.945440 O\n0.299243 0.194196 0.197084 O\n0.303994 0.297203 0.704227 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"La",
"Y",
"Sc",
"O"
],
"chemical_system": "La-O-Sc-Y",
"density": 5.527767739170364,
"density_atomic": 0.07587765418111658,
"volume": 263.5822129168739,
"volume_molar": 7.936645940088526,
"formula_full": "La3 Y1 Sc4 O12",
"formula_reduced": "La3YSc4O12",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.8376636725,
"spacegroup": 6
},
{
"id": "jvasp-88250",
"created_at": "2022-09-04T14:35:48.576742Z",
"updated_at": "2022-09-04T14:35:48.576760Z",
"structure_string": "Li3 Al3 Si3 O12\n1.0\n5.281927 0.000000 -0.000000\n-2.640964 4.574283 0.000000\n0.000000 0.000000 11.454413\nLi Al Si O\n3 3 3 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.666667 Li\n0.000000 0.000000 0.333333 Li\n0.500000 0.500000 0.166667 Al\n0.000000 0.500000 0.833333 Al\n0.500000 -0.000000 0.500000 Al\n0.500000 0.500000 0.666667 Si\n0.000000 0.500000 0.333333 Si\n0.500000 -0.000000 0.000000 Si\n0.204870 0.398237 0.744446 O\n0.806632 0.204869 0.411114 O\n0.398238 0.193368 0.077780 O\n0.806632 0.601762 0.255553 O\n0.193369 0.795130 0.411114 O\n0.795131 0.193368 0.922220 O\n0.601763 0.795130 0.588886 O\n0.193368 0.398237 0.255553 O\n0.204870 0.806631 0.922220 O\n0.398238 0.204869 0.588886 O\n0.795131 0.601762 0.744446 O\n0.601763 0.806631 0.077780 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Li",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Li-O-Si",
"density": 2.2681515508483456,
"density_atomic": 0.07588064821933242,
"volume": 276.7504033347167,
"volume_molar": 7.936332782230655,
"formula_full": "Li3 Al3 Si3 O12",
"formula_reduced": "LiAlSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.045510771428572,
"spacegroup": 181
},
{
"id": "jvasp-79878",
"created_at": "2022-09-04T14:36:52.512658Z",
"updated_at": "2022-09-04T14:36:52.512678Z",
"structure_string": "Ta1 Mn2 Ge1\n1.0\n-0.000030 2.975989 2.976018\n2.975972 0.000022 2.975975\n2.975993 2.975958 -0.000001\nTa Mn Ge\n1 2 1\ndirect\n0.750001 0.750000 0.749999 Ta\n0.499993 0.500008 0.499999 Mn\n0.000010 0.999997 0.999996 Mn\n0.250002 0.249995 0.250001 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Ta",
"density": 11.449537986015722,
"density_atomic": 0.0758817765761833,
"volume": 52.7135786809644,
"volume_molar": 7.93621476950257,
"formula_full": "Ta1 Mn2 Ge1",
"formula_reduced": "TaMn2Ge",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.948097408189655,
"spacegroup": 225
},
{
"id": "jvasp-110200",
"created_at": "2022-09-04T14:38:27.202057Z",
"updated_at": "2022-09-04T14:38:27.202068Z",
"structure_string": "Na1 Y1 F4\n1.0\n3.803606 -0.000000 0.000000\n0.000000 3.803606 0.000000\n-0.000000 -0.000000 5.465316\nNa Y F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Na\n0.500001 0.500001 0.500000 Y\n0.500001 0.000000 0.733162 F\n-0.000000 0.500001 0.266838 F\n0.500001 0.000000 0.266838 F\n-0.000000 0.500001 0.733162 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Y",
"F"
],
"chemical_system": "F-Na-Y",
"density": 3.9458871789970016,
"density_atomic": 0.07588307566160064,
"volume": 79.06901437096334,
"volume_molar": 7.936078904940068,
"formula_full": "Na1 Y1 F4",
"formula_reduced": "NaYF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-35796",
"created_at": "2022-09-04T14:37:29.436138Z",
"updated_at": "2022-09-04T14:37:29.436169Z",
"structure_string": "Pt1 C1\n1.0\n2.362010 2.362010 -0.000000\n2.362010 0.000000 -2.362010\n0.000000 2.362010 -2.362010\nPt C\n1 1\ndirect\n0.750000 0.750000 0.750000 Pt\n0.000000 0.000000 0.000000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pt",
"C"
],
"chemical_system": "C-Pt",
"density": 13.047968226360409,
"density_atomic": 0.07588480180159546,
"volume": 26.355738600057204,
"volume_molar": 7.935898384165491,
"formula_full": "Pt1 C1",
"formula_reduced": "PtC",
"formula_anonymous": "AB",
"energy_above_hull": 3.3298657,
"spacegroup": 216
},
{
"id": "jvasp-99073",
"created_at": "2022-09-04T14:36:07.170557Z",
"updated_at": "2022-09-04T14:36:07.170581Z",
"structure_string": "Ge12 Pb3 O27\n1.0\n11.510481 0.000000 0.000000\n-5.755240 9.968369 -0.000000\n-0.000000 -0.000000 4.823608\nGe Pb O\n12 3 27\ndirect\n0.666667 0.333333 0.114801 Ge\n0.000000 0.000000 0.000000 Ge\n0.333333 0.666667 0.885199 Ge\n0.148907 0.491400 0.395037 Ge\n0.508600 0.657506 0.395037 Ge\n0.342494 0.851093 0.395037 Ge\n0.657506 0.508600 0.604964 Ge\n0.851093 0.342494 0.604964 Ge\n0.491400 0.148907 0.604964 Ge\n0.180437 0.000000 0.500000 Ge\n0.000000 0.180437 0.500000 Ge\n0.819563 0.819563 0.500000 Ge\n0.673931 0.000000 0.000000 Pb\n0.000000 0.673932 0.000000 Pb\n0.326069 0.326069 0.000000 Pb\n0.248554 0.738397 0.664044 O\n0.491149 0.000000 0.500000 O\n0.602840 0.179484 0.884948 O\n0.820516 0.423355 0.884948 O\n0.576645 0.397161 0.884948 O\n0.423355 0.820516 0.115053 O\n0.397160 0.576645 0.115053 O\n0.179484 0.602840 0.115053 O\n0.510158 0.261603 0.335957 O\n0.738397 0.248553 0.335957 O\n0.751447 0.489842 0.335957 O\n0.489842 0.751447 0.664044 O\n0.154411 0.095314 0.238649 O\n0.324605 0.106790 0.713581 O\n0.893209 0.217814 0.713581 O\n0.782186 0.675395 0.713581 O\n0.217814 0.893210 0.286419 O\n0.675395 0.782186 0.286419 O\n0.106791 0.324605 0.286419 O\n0.000000 0.491149 0.500000 O\n0.904686 0.059097 0.238649 O\n0.940903 0.845589 0.238649 O\n0.059097 0.904686 0.761351 O\n0.845589 0.940903 0.761351 O\n0.095314 0.154411 0.761351 O\n0.261603 0.510158 0.664044 O\n0.508850 0.508850 0.500000 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Ge",
"Pb",
"O"
],
"chemical_system": "Ge-O-Pb",
"density": 5.776300221671111,
"density_atomic": 0.07588565820411938,
"volume": 553.4642644467446,
"volume_molar": 7.935808824114664,
"formula_full": "Ge12 Pb3 O27",
"formula_reduced": "Ge4PbO9",
"formula_anonymous": "AB4C9",
"energy_above_hull": 2.099735437142857,
"spacegroup": 150
}
]
}