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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=950",
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"results": [
{
"id": "jvasp-117952",
"created_at": "2022-09-04T14:38:49.118079Z",
"updated_at": "2022-09-04T14:38:49.118100Z",
"structure_string": "Si1 C2\n1.0\n2.842542 0.000000 0.000000\n0.000000 3.167099 0.000000\n0.000000 0.000000 3.927816\nSi C\n1 2\ndirect\n0.466664 0.000000 0.000000 Si\n-0.033332 0.000000 0.666378 C\n-0.033332 0.000000 0.333624 C\n",
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{
"id": "jvasp-120444",
"created_at": "2022-09-04T14:38:50.712278Z",
"updated_at": "2022-09-04T14:38:50.712307Z",
"structure_string": "Ti16 Co8\n1.0\n6.842233 -0.000000 3.950365\n2.280744 6.450919 3.950365\n-0.000000 -0.000000 7.900730\nTi Co\n16 8\ndirect\n0.125000 0.625000 0.625000 Ti\n0.436353 0.063647 0.063646 Ti\n0.063646 0.436353 0.436353 Ti\n0.063646 0.436353 0.063647 Ti\n0.436353 0.063647 0.436353 Ti\n0.436353 0.436353 0.063646 Ti\n0.813646 0.186353 0.186353 Ti\n0.186353 0.813647 0.813646 Ti\n0.063647 0.063647 0.436353 Ti\n0.813646 0.186353 0.813646 Ti\n0.186353 0.186353 0.813647 Ti\n0.813646 0.813647 0.186353 Ti\n0.624999 0.625000 0.625000 Ti\n0.624999 0.625000 0.125000 Ti\n0.625000 0.125000 0.625000 Ti\n0.186353 0.813647 0.186353 Ti\n0.843415 0.843416 0.469754 Co\n0.780245 0.406584 0.406584 Co\n0.406584 0.780246 0.406584 Co\n0.406584 0.406584 0.780245 Co\n0.406584 0.406584 0.406584 Co\n0.469753 0.843416 0.843415 Co\n0.843415 0.469754 0.843415 Co\n0.843415 0.843416 0.843415 Co\n",
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"elements": [
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"density": 5.891835670031671,
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"volume": 348.72787905513263,
"volume_molar": 8.750368227526103,
"formula_full": "Ti16 Co8",
"formula_reduced": "Ti2Co",
"formula_anonymous": "AB2",
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"spacegroup": 227
},
{
"id": "jvasp-117896",
"created_at": "2022-09-04T14:38:54.192441Z",
"updated_at": "2022-09-04T14:38:54.192468Z",
"structure_string": "C2 Cl1\n1.0\n4.480023 0.000000 -0.193667\n0.000000 2.936503 0.000000\n-0.044872 0.000000 3.668440\nC Cl\n2 1\ndirect\n-0.451150 0.000000 0.228783 C\n-0.224385 0.000000 0.456681 C\n0.075536 0.000000 -0.285463 Cl\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "C-Cl",
"density": 2.0474662803168537,
"density_atomic": 0.06219548316090321,
"volume": 48.235013983874545,
"volume_molar": 9.682601459048696,
"formula_full": "C2 Cl1",
"formula_reduced": "C2Cl",
"formula_anonymous": "AB2",
"energy_above_hull": 4.187898022499999,
"spacegroup": 6
},
{
"id": "jvasp-120900",
"created_at": "2022-09-04T14:38:54.117664Z",
"updated_at": "2022-09-04T14:38:54.117691Z",
"structure_string": "Ge2 Br1\n1.0\n6.139670 0.000000 -0.026181\n0.000000 3.211981 0.000000\n0.016367 0.000000 4.308033\nGe Br\n2 1\ndirect\n-0.141192 0.000000 -0.033710 Ge\n0.080995 0.000000 0.466381 Ge\n0.460197 0.000000 -0.032671 Br\n",
"nsites": 3,
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"elements": [
"Ge",
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"chemical_system": "Br-Ge",
"density": 4.401316227965427,
"density_atomic": 0.035311584122193054,
"volume": 84.95795571274084,
"volume_molar": 17.054292266132382,
"formula_full": "Ge2 Br1",
"formula_reduced": "Ge2Br",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5075046416666666,
"spacegroup": 25
},
{
"id": "jvasp-117474",
"created_at": "2022-09-04T14:38:50.070356Z",
"updated_at": "2022-09-04T14:38:50.070376Z",
"structure_string": "B2 H1\n1.0\n3.910231 0.837126 -0.302289\n-3.809547 -4.165696 0.657711\n-0.669166 0.755235 -1.441237\nB H\n2 1\ndirect\n0.584426 0.327491 0.182213 B\n0.416714 0.938062 0.403653 B\n0.000620 0.132801 0.792966 H\n",
"nsites": 3,
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"elements": [
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"H"
],
"chemical_system": "B-H",
"density": 2.0555180441605003,
"density_atomic": 0.16410055441064642,
"volume": 18.281473885169078,
"volume_molar": 3.669786967891742,
"formula_full": "B2 H1",
"formula_reduced": "B2H",
"formula_anonymous": "AB2",
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"spacegroup": 71
},
{
"id": "jvasp-118752",
"created_at": "2022-09-04T14:38:50.072906Z",
"updated_at": "2022-09-04T14:38:50.072928Z",
"structure_string": "N1 Cl2\n1.0\n6.171361 0.000000 0.000000\n0.000000 3.759410 0.000000\n0.000000 0.000000 3.136005\nN Cl\n1 2\ndirect\n0.000000 0.274317 0.000000 N\n0.229401 0.022841 0.000000 Cl\n0.770599 0.022841 0.000000 Cl\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Cl-N",
"density": 1.9379579862599947,
"density_atomic": 0.0412328984389507,
"volume": 72.75743674536464,
"volume_molar": 14.605184180579403,
"formula_full": "N1 Cl2",
"formula_reduced": "NCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8451804616666665,
"spacegroup": 25
},
{
"id": "jvasp-118798",
"created_at": "2022-09-04T14:38:50.096136Z",
"updated_at": "2022-09-04T14:38:50.096165Z",
"structure_string": "Na1 Se2\n1.0\n5.164131 0.000000 -1.102184\n0.000000 3.463785 0.000000\n-0.784933 0.000000 5.157061\nNa Se\n1 2\ndirect\n0.072114 0.000000 0.419685 Na\n-0.168625 0.000000 -0.161560 Se\n0.312754 0.000000 0.000840 Se\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Na-Se",
"density": 3.3659147210864786,
"density_atomic": 0.033613462099171494,
"volume": 89.24995560257817,
"volume_molar": 17.915859848749214,
"formula_full": "Na1 Se2",
"formula_reduced": "NaSe2",
"formula_anonymous": "AB2",
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"spacegroup": 10
},
{
"id": "jvasp-118689",
"created_at": "2022-09-04T14:38:53.450662Z",
"updated_at": "2022-09-04T14:38:53.450688Z",
"structure_string": "Mg1 Cl2\n1.0\n3.516042 0.000000 -0.424753\n0.000000 3.872213 0.000000\n-0.664852 0.000000 5.783081\nMg Cl\n1 2\ndirect\n0.466680 0.000000 0.133340 Mg\n-0.159685 0.000000 -0.142600 Cl\n0.093006 0.000000 0.409259 Cl\n",
"nsites": 3,
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"elements": [
"Mg",
"Cl"
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"chemical_system": "Cl-Mg",
"density": 2.036280162847681,
"density_atomic": 0.03863870489240384,
"volume": 77.64235391310395,
"volume_molar": 15.585772806748293,
"formula_full": "Mg1 Cl2",
"formula_reduced": "MgCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1772466666666666,
"spacegroup": 10
},
{
"id": "jvasp-120311",
"created_at": "2022-09-04T14:38:53.643350Z",
"updated_at": "2022-09-04T14:38:53.643375Z",
"structure_string": "Li2 Sb1\n1.0\n4.654805 0.000000 -1.196728\n0.000000 3.328424 0.000000\n-1.224291 0.000000 4.610293\nLi Sb\n2 1\ndirect\n-0.199622 0.000000 -0.199621 Li\n0.132945 0.000000 0.466266 Li\n0.466677 0.000000 0.133355 Sb\n",
"nsites": 3,
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"elements": [
"Li",
"Sb"
],
"chemical_system": "Li-Sb",
"density": 3.3844337554902206,
"density_atomic": 0.04507793266576936,
"volume": 66.5514104704739,
"volume_molar": 13.359398720991054,
"formula_full": "Li2 Sb1",
"formula_reduced": "Li2Sb",
"formula_anonymous": "AB2",
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"spacegroup": 191
},
{
"id": "jvasp-121292",
"created_at": "2022-09-04T14:38:50.109164Z",
"updated_at": "2022-09-04T14:38:50.109188Z",
"structure_string": "Au1 Br2\n1.0\n6.399399 -0.148431 0.636865\n2.069275 -5.953274 0.982484\n-0.559769 2.954428 -2.758204\nAu Br\n1 2\ndirect\n0.965326 0.064222 0.147837 Au\n0.235092 0.485606 0.817440 Br\n0.695578 0.642776 0.478122 Br\n",
"nsites": 3,
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],
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"density": 6.769903791091073,
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"volume": 87.5105655967375,
"volume_molar": 17.56669813369222,
"formula_full": "Au1 Br2",
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"spacegroup": 2
},
{
"id": "jvasp-121230",
"created_at": "2022-09-04T14:38:53.426563Z",
"updated_at": "2022-09-04T14:38:53.426590Z",
"structure_string": "Mg2 Zn1\n1.0\n4.964974 0.000000 1.135879\n0.000000 3.099070 0.000000\n1.678890 0.000000 4.761544\nMg Zn\n2 1\ndirect\n0.132040 0.000000 -0.203128 Mg\n-0.198742 0.000000 0.469787 Mg\n0.466701 0.000000 0.133341 Zn\n",
"nsites": 3,
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"elements": [
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],
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"density": 2.810973490387379,
"density_atomic": 0.044540150424730834,
"volume": 67.35495887176563,
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"formula_full": "Mg2 Zn1",
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"spacegroup": 65
},
{
"id": "jvasp-121332",
"created_at": "2022-09-04T14:38:50.179562Z",
"updated_at": "2022-09-04T14:38:50.179580Z",
"structure_string": "N16 F8\n1.0\n4.120425 0.000000 0.000000\n0.000000 8.013652 0.000000\n-0.000000 0.000000 12.832996\nN F\n16 8\ndirect\n-0.062935 0.374211 0.444627 N\n0.430186 0.247500 0.276464 N\n0.069815 0.752500 0.776464 N\n0.569815 0.747500 0.223536 N\n-0.069815 0.252500 0.723536 N\n0.980941 0.510595 0.448455 N\n0.480940 0.989404 0.551545 N\n0.019061 0.010596 0.051545 N\n0.519061 0.489404 0.948456 N\n0.538193 0.151709 0.224531 N\n0.038193 0.348291 0.775469 N\n0.461808 0.651709 0.275469 N\n0.437066 0.125789 0.555373 N\n0.062935 0.874211 0.055373 N\n0.562935 0.625789 0.944627 N\n0.961808 0.848291 0.724532 N\n0.015725 0.494256 0.124973 F\n0.009037 0.324909 0.086264 F\n0.490964 0.675090 0.586264 F\n0.990965 0.824909 0.413736 F\n0.509037 0.175091 0.913736 F\n-0.015725 -0.005744 0.375027 F\n0.515725 0.005744 0.875027 F\n0.484276 0.505744 0.624973 F\n",
"nsites": 24,
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"elements": [
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"density": 1.4738233831771457,
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"volume": 423.7410625776611,
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"formula_full": "N16 F8",
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