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=nelements&page=3880",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=3878",
"results": [
{
"id": "jvasp-39128",
"created_at": "2022-09-04T14:37:57.624871Z",
"updated_at": "2022-09-04T14:37:57.624900Z",
"structure_string": "Ho1 Er1 Ag2\n1.0\n0.000000 3.582360 3.582360\n3.582360 -0.000000 3.582360\n3.582360 3.582360 0.000000\nHo Er Ag\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Ho\n0.250000 0.250000 0.250000 Er\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Er",
"Ag"
],
"chemical_system": "Ag-Er-Ho",
"density": 9.895394382638955,
"density_atomic": 0.043503311265299695,
"volume": 91.94702388529652,
"volume_molar": 13.842948007508443,
"formula_full": "Ho1 Er1 Ag2",
"formula_reduced": "HoErAg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4613225216666666,
"spacegroup": 225
},
{
"id": "jvasp-108801",
"created_at": "2022-09-04T14:37:57.636861Z",
"updated_at": "2022-09-04T14:37:57.636882Z",
"structure_string": "Ca1 Er1 Al4\n1.0\n4.827999 -0.000000 2.787447\n1.609333 4.551881 2.787447\n-0.000000 -0.000000 5.574893\nCa Er Al\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Er\n0.625315 0.625315 0.124056 Al\n0.625315 0.124055 0.625316 Al\n0.124054 0.625315 0.625316 Al\n0.625315 0.625315 0.625316 Al\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Er",
"Al"
],
"chemical_system": "Al-Ca-Er",
"density": 4.272948972948497,
"density_atomic": 0.04897299254635477,
"volume": 122.51650732433342,
"volume_molar": 12.296860875511781,
"formula_full": "Ca1 Er1 Al4",
"formula_reduced": "CaErAl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.345121936666667,
"spacegroup": 216
},
{
"id": "jvasp-10107",
"created_at": "2022-09-04T14:37:57.627772Z",
"updated_at": "2022-09-04T14:37:57.627798Z",
"structure_string": "Tl4 Ge2 S6\n1.0\n6.733409 0.002300 -0.011643\n-2.727040 -6.270253 0.086501\n-3.098460 1.256809 -7.792529\nTl Ge S\n4 2 6\ndirect\n0.260083 0.687986 0.886648 Tl\n0.739917 0.312013 0.113352 Tl\n0.884239 0.057985 0.672185 Tl\n0.115761 0.942015 0.327815 Tl\n0.429637 0.548959 0.313609 Ge\n0.570363 0.451041 0.686391 Ge\n0.516537 0.884042 0.266854 S\n0.483463 0.115957 0.733146 S\n0.763680 0.707370 0.913635 S\n0.235284 0.470689 0.496640 S\n0.764715 0.529310 0.503360 S\n0.236320 0.292630 0.086365 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tl",
"Ge",
"S"
],
"chemical_system": "Ge-S-Tl",
"density": 5.839691267221679,
"density_atomic": 0.036531175971435854,
"volume": 328.486551031999,
"volume_molar": 16.48493540068018,
"formula_full": "Tl4 Ge2 S6",
"formula_reduced": "Tl2GeS3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.8846235250000003,
"spacegroup": 2
},
{
"id": "jvasp-77270",
"created_at": "2022-09-04T14:37:57.628671Z",
"updated_at": "2022-09-04T14:37:57.628708Z",
"structure_string": "K2 Ag1 Au1\n1.0\n-12.986962 2.095384 -4.076279\n-11.881263 0.329509 -0.658302\n-10.246421 4.953544 -3.489933\nK Ag Au\n2 1 1\ndirect\n0.781275 -0.020806 -0.020806 K\n0.218726 0.020805 0.020805 K\n0.000000 0.000000 0.000000 Ag\n0.500001 -0.000000 -0.000001 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ag",
"Au"
],
"chemical_system": "Ag-Au-K",
"density": 5.04879630020844,
"density_atomic": 0.03175151119169,
"volume": 125.97825583328077,
"volume_molar": 18.9664697331827,
"formula_full": "K2 Ag1 Au1",
"formula_reduced": "K2AgAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-52260",
"created_at": "2022-09-04T14:37:57.647566Z",
"updated_at": "2022-09-04T14:37:57.647588Z",
"structure_string": "Li5 Cu1 F8\n1.0\n2.875560 1.611827 -4.712594\n-2.875560 5.131781 0.000574\n2.875560 -1.611827 4.712594\nLi Cu F\n5 1 8\ndirect\n0.141312 0.423934 0.282623 Li\n0.500000 0.000000 0.000000 Li\n0.000000 -0.000000 0.500000 Li\n0.858688 0.576065 0.717377 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Cu\n0.265707 0.265702 -0.000005 F\n0.266154 0.798462 0.532308 F\n0.734288 0.265703 -0.000005 F\n0.734293 0.734299 0.468585 F\n0.265707 0.265702 0.531414 F\n0.265713 0.734299 0.000005 F\n0.733846 0.201537 0.467691 F\n0.734293 0.734299 0.000005 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Cu",
"F"
],
"chemical_system": "Cu-F-Li",
"density": 2.9874838435060034,
"density_atomic": 0.10065395669130257,
"volume": 139.09040896362228,
"volume_molar": 5.98301443674928,
"formula_full": "Li5 Cu1 F8",
"formula_reduced": "Li5CuF8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 0.1453558151785713,
"spacegroup": 166
},
{
"id": "jvasp-51696",
"created_at": "2022-09-04T14:37:57.660455Z",
"updated_at": "2022-09-04T14:37:57.660473Z",
"structure_string": "K6 H10 Pt2\n1.0\n7.326733 -0.000000 -0.000000\n-0.000000 7.326733 0.000000\n-0.000000 0.000000 5.717372\nK H Pt\n6 10 2\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 K\n0.183866 0.683865 0.500000 K\n0.816134 0.316134 0.500000 K\n0.683865 0.816134 0.500000 K\n0.316134 0.183866 0.500000 K\n0.114976 0.385024 0.203074 H\n0.885024 0.614976 0.203074 H\n0.614976 0.114976 0.203074 H\n0.385024 0.885024 0.203074 H\n0.885024 0.614976 0.796926 H\n0.614976 0.114976 0.796926 H\n0.385024 0.885024 0.796926 H\n0.000000 0.000000 0.500000 H\n0.500000 0.500000 0.500000 H\n0.114976 0.385024 0.796926 H\n0.500000 0.000000 0.000000 Pt\n0.000000 0.500000 0.000000 Pt\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"H",
"Pt"
],
"chemical_system": "H-K-Pt",
"density": 3.4347432907555064,
"density_atomic": 0.05864828595642805,
"volume": 306.91434040157384,
"volume_molar": 10.268229773115737,
"formula_full": "K6 H10 Pt2",
"formula_reduced": "K3H5Pt",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.6240550444444446,
"spacegroup": 127
},
{
"id": "jvasp-16780",
"created_at": "2022-09-04T14:37:57.668668Z",
"updated_at": "2022-09-04T14:37:57.668694Z",
"structure_string": "Th2 Cr1 N3\n1.0\n3.434391 0.000000 -0.900075\n-0.274912 3.603429 -1.048974\n0.000305 0.073882 7.003459\nTh Cr N\n2 1 3\ndirect\n0.354806 0.354804 0.709611 Th\n0.645195 0.645196 0.290391 Th\n0.000000 0.000000 0.000000 Cr\n0.834962 0.834960 0.669922 N\n0.165040 0.165039 0.330080 N\n0.000000 0.500000 0.000000 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Cr",
"N"
],
"chemical_system": "Cr-N-Th",
"density": 10.65734271817447,
"density_atomic": 0.06899935623402263,
"volume": 86.95733304597823,
"volume_molar": 8.72782166195134,
"formula_full": "Th2 Cr1 N3",
"formula_reduced": "Th2CrN3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.739823058333333,
"spacegroup": 71
},
{
"id": "jvasp-39592",
"created_at": "2022-09-04T14:37:57.670058Z",
"updated_at": "2022-09-04T14:37:57.670080Z",
"structure_string": "Tb1 Sm1 Hg2\n1.0\n-0.000000 3.737460 3.737460\n3.737460 0.000000 3.737460\n3.737460 3.737460 -0.000000\nTb Sm Hg\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Tb\n0.250001 0.250001 0.250001 Sm\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tb",
"Sm",
"Hg"
],
"chemical_system": "Hg-Sm-Tb",
"density": 11.298800582326182,
"density_atomic": 0.03830895767088567,
"volume": 104.41422171712988,
"volume_molar": 15.719928513160124,
"formula_full": "Tb1 Sm1 Hg2",
"formula_reduced": "TbSmHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-108179",
"created_at": "2022-09-04T14:37:57.674967Z",
"updated_at": "2022-09-04T14:37:57.674998Z",
"structure_string": "Li4 Co2 O4\n1.0\n3.097998 -0.000277 0.000226\n0.000544 5.354253 -0.081338\n-0.000351 0.082970 5.133188\nLi Co O\n4 2 4\ndirect\n0.499977 0.166808 0.642015 Li\n-0.000016 0.666805 0.641982 Li\n0.499984 0.833231 0.357986 Li\n0.999977 0.333233 0.358019 Li\n0.999980 0.000019 0.000002 Co\n0.499979 0.500019 0.000001 Co\n0.499981 0.166896 0.240385 O\n-0.000014 0.666890 0.240385 O\n0.499979 0.833145 0.759615 O\n0.999973 0.333149 0.759616 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.087187338655838,
"density_atomic": 0.1174157013783378,
"volume": 85.16748512005154,
"volume_molar": 5.128905835681559,
"formula_full": "Li4 Co2 O4",
"formula_reduced": "Li2CoO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.7145295800000002,
"spacegroup": 164
},
{
"id": "jvasp-40259",
"created_at": "2022-09-04T14:37:58.114588Z",
"updated_at": "2022-09-04T14:37:58.114628Z",
"structure_string": "Sc1 Nb1 Ru2\n1.0\n0.000004 3.183631 3.183626\n3.183637 0.000003 3.183627\n3.183636 3.183631 0.000005\nSc Nb Ru\n1 1 2\ndirect\n0.749999 0.750001 0.750001 Sc\n0.250001 0.250001 0.250000 Nb\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500002 0.500000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Nb",
"Ru"
],
"chemical_system": "Nb-Ru-Sc",
"density": 8.748497133015917,
"density_atomic": 0.06198156004393641,
"volume": 64.53532304066806,
"volume_molar": 9.716019983574355,
"formula_full": "Sc1 Nb1 Ru2",
"formula_reduced": "ScNbRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.1295089125,
"spacegroup": 225
},
{
"id": "jvasp-10720",
"created_at": "2022-09-04T14:37:58.176977Z",
"updated_at": "2022-09-04T14:37:58.177006Z",
"structure_string": "Li4 Er4 O8\n1.0\n0.000000 6.099003 -0.004658\n6.105373 0.000000 0.000000\n0.000000 -2.993663 -5.414380\nLi Er O\n4 4 8\ndirect\n0.708559 0.344384 0.935876 Li\n0.291441 0.844384 0.564124 Li\n0.291441 0.655615 0.064124 Li\n0.708559 0.155615 0.435876 Li\n0.766349 0.869217 0.021549 Er\n0.766349 0.630782 0.521549 Er\n0.233651 0.130782 0.978451 Er\n0.233651 0.369218 0.478451 Er\n0.012612 0.672037 0.343951 O\n0.545912 0.607739 0.738162 O\n0.987388 0.172037 0.156049 O\n0.987388 0.327963 0.656049 O\n0.454088 0.392260 0.261838 O\n0.454088 0.107740 0.761838 O\n0.545912 0.892260 0.238162 O\n0.012612 0.827963 0.843951 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Er",
"O"
],
"chemical_system": "Er-Li-O",
"density": 6.790348874268571,
"density_atomic": 0.07932623612646521,
"volume": 201.6987163552312,
"volume_molar": 7.5916128812657275,
"formula_full": "Li4 Er4 O8",
"formula_reduced": "LiErO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9160792499999996,
"spacegroup": 14
},
{
"id": "jvasp-4489",
"created_at": "2022-09-04T14:37:58.186371Z",
"updated_at": "2022-09-04T14:37:58.186394Z",
"structure_string": "Cd2 P2 S6\n1.0\n6.193905 -0.000438 -0.943192\n-3.311330 5.234459 -0.943192\n0.003725 0.006764 6.910566\nCd P S\n2 2 6\ndirect\n0.331816 0.668184 0.000000 Cd\n0.668184 0.331816 0.000000 Cd\n0.056093 0.056093 0.172281 P\n0.943905 0.943906 0.827720 P\n0.397684 0.084555 0.261360 S\n0.915443 0.602314 0.738640 S\n0.230924 0.230925 0.744230 S\n0.769074 0.769074 0.255770 S\n0.602314 0.915445 0.738640 S\n0.084555 0.397685 0.261361 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cd",
"P",
"S"
],
"chemical_system": "Cd-P-S",
"density": 3.55014028153888,
"density_atomic": 0.04461863623639765,
"volume": 224.12159679238474,
"volume_molar": 13.496918032397055,
"formula_full": "Cd2 P2 S6",
"formula_reduced": "CdPS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.35067905,
"spacegroup": 12
}
]
}