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"results": [
{
"id": "jvasp-117466",
"created_at": "2022-09-04T14:38:35.006437Z",
"updated_at": "2022-09-04T14:38:35.006460Z",
"structure_string": "Ba1 B1 Se2\n1.0\n4.081299 0.000000 0.000000\n0.000000 4.081299 0.000000\n0.000000 0.000000 6.630532\nBa B Se\n1 1 2\ndirect\n0.500000 0.500000 0.556728 Ba\n0.000000 0.000000 0.063157 B\n0.000000 0.000000 0.367253 Se\n0.500000 0.500000 0.022862 Se\n",
"nsites": 4,
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"elements": [
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"B",
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"density": 4.601586947305509,
"density_atomic": 0.03621719324523972,
"volume": 110.44478165148118,
"volume_molar": 16.627850532817124,
"formula_full": "Ba1 B1 Se2",
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{
"id": "jvasp-114473",
"created_at": "2022-09-04T14:38:41.901921Z",
"updated_at": "2022-09-04T14:38:41.901957Z",
"structure_string": "B1 Br3\n1.0\n5.428409 -0.652524 0.670618\n-3.309139 -5.368853 0.695796\n0.699941 -2.119825 -3.400733\nB Br\n1 3\ndirect\n0.941150 0.271559 0.074935 B\n0.942447 -0.031785 0.089379 Br\n0.633057 0.270763 0.355513 Br\n0.248739 0.575732 0.787946 Br\n",
"nsites": 4,
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"elements": [
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"Br"
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"chemical_system": "B-Br",
"density": 3.4276034592347093,
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"volume": 121.36854030212525,
"volume_molar": 18.27246083837828,
"formula_full": "B1 Br3",
"formula_reduced": "BBr3",
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"spacegroup": 8
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{
"id": "jvasp-120075",
"created_at": "2022-09-04T14:38:37.982264Z",
"updated_at": "2022-09-04T14:38:37.982287Z",
"structure_string": "Zr1 Cd1 O2\n1.0\n3.097274 0.000000 0.000000\n-0.000000 3.097274 0.000000\n-0.000000 0.000000 6.981884\nZr Cd O\n1 1 2\ndirect\n0.499999 0.499999 0.572125 Zr\n0.000000 0.000000 0.071454 Cd\n0.000000 0.000000 0.531547 O\n0.499999 0.499999 0.834873 O\n",
"nsites": 4,
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"elements": [
"Zr",
"Cd",
"O"
],
"chemical_system": "Cd-O-Zr",
"density": 5.841909190361236,
"density_atomic": 0.059721142660604264,
"volume": 66.97795490504983,
"volume_molar": 10.083766806378563,
"formula_full": "Zr1 Cd1 O2",
"formula_reduced": "ZrCdO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2731078125,
"spacegroup": 99
},
{
"id": "jvasp-105510",
"created_at": "2022-09-04T14:38:45.512286Z",
"updated_at": "2022-09-04T14:38:45.512310Z",
"structure_string": "Fe1 Co1 Pt2\n1.0\n2.651076 0.000133 8.350405\n1.293831 2.313915 8.350405\n0.000227 0.000133 8.761134\nFe Co Pt\n1 1 2\ndirect\n0.744239 0.744236 0.744236 Fe\n0.006418 0.006418 0.006418 Co\n0.493048 0.493046 0.493046 Pt\n0.256299 0.256298 0.256298 Pt\n",
"nsites": 4,
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"elements": [
"Fe",
"Co",
"Pt"
],
"chemical_system": "Co-Fe-Pt",
"density": 15.603574825771137,
"density_atomic": 0.07443717760262297,
"volume": 53.73658874270711,
"volume_molar": 8.090232534270342,
"formula_full": "Fe1 Co1 Pt2",
"formula_reduced": "FeCoPt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.0117998000000004,
"spacegroup": 160
},
{
"id": "jvasp-120346",
"created_at": "2022-09-04T14:38:48.190739Z",
"updated_at": "2022-09-04T14:38:48.190757Z",
"structure_string": "Sr1 Ta1 N2\n1.0\n1.620174 0.935408 5.874905\n-1.620174 0.935408 5.874905\n-0.000000 -1.870816 5.874905\nSr Ta N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ta\n0.768190 0.768190 0.768190 N\n0.231810 0.231810 0.231810 N\n",
"nsites": 4,
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"elements": [
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"Ta",
"N"
],
"chemical_system": "N-Sr-Ta",
"density": 9.218876471702353,
"density_atomic": 0.07487643425212723,
"volume": 53.42134731644704,
"volume_molar": 8.042771828212308,
"formula_full": "Sr1 Ta1 N2",
"formula_reduced": "SrTaN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.7961980025000006,
"spacegroup": 166
},
{
"id": "jvasp-113665",
"created_at": "2022-09-04T14:38:48.204773Z",
"updated_at": "2022-09-04T14:38:48.204802Z",
"structure_string": "Li2 Br2\n1.0\n3.952426 -0.321994 -0.803995\n-2.005360 -3.421489 0.954184\n0.069554 -0.162816 -6.924498\nLi Br\n2 2\ndirect\n0.924372 0.006467 0.919606 Li\n0.424029 0.505860 0.419653 Li\n0.553675 0.383886 0.044953 Br\n0.053405 0.883326 0.544938 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Br"
],
"chemical_system": "Br-Li",
"density": 2.9355233545475783,
"density_atomic": 0.040711923199866634,
"volume": 98.25131523172807,
"volume_molar": 14.792081254514963,
"formula_full": "Li2 Br2",
"formula_reduced": "LiBr",
"formula_anonymous": "AB",
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"spacegroup": 119
},
{
"id": "jvasp-117813",
"created_at": "2022-09-04T14:38:48.214825Z",
"updated_at": "2022-09-04T14:38:48.214853Z",
"structure_string": "Rb2 In1 Br1\n1.0\n-2.398984 9.881084 2.321139\n2.398984 -9.881084 2.321139\n2.398984 9.881084 -2.321139\nRb In Br\n2 1 1\ndirect\n0.162440 -0.000000 0.162440 Rb\n0.837559 -0.000000 0.837559 Rb\n0.500000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
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"elements": [
"Rb",
"In",
"Br"
],
"chemical_system": "Br-In-Rb",
"density": 2.758866077000042,
"density_atomic": 0.018174685672525105,
"volume": 220.08633723150706,
"volume_molar": 33.1347725540241,
"formula_full": "Rb2 In1 Br1",
"formula_reduced": "Rb2InBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-113510",
"created_at": "2022-09-04T14:38:45.163585Z",
"updated_at": "2022-09-04T14:38:45.163613Z",
"structure_string": "Ba3 Te1\n1.0\n8.224089 0.860776 -0.309313\n-3.361787 -7.582417 0.095366\n2.440577 0.287906 -3.936502\nBa Te\n3 1\ndirect\n0.022338 0.001676 0.882588 Ba\n0.702321 0.359350 0.880112 Ba\n0.344617 0.644118 0.880361 Ba\n0.522311 0.001737 0.381394 Te\n",
"nsites": 4,
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"elements": [
"Ba",
"Te"
],
"chemical_system": "Ba-Te",
"density": 3.9189247758949035,
"density_atomic": 0.017495291076925486,
"volume": 228.6329494269229,
"volume_molar": 34.421495095572276,
"formula_full": "Ba3 Te1",
"formula_reduced": "Ba3Te",
"formula_anonymous": "AB3",
"energy_above_hull": 0.215645485,
"spacegroup": 71
},
{
"id": "jvasp-110742",
"created_at": "2022-09-04T14:38:37.972223Z",
"updated_at": "2022-09-04T14:38:37.972258Z",
"structure_string": "Ac2 Zn1 In1\n1.0\n4.916789 0.000000 2.838709\n1.638930 4.635593 2.838709\n-0.000000 0.000000 5.677419\nAc Zn In\n2 1 1\ndirect\n0.750000 0.749999 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
"Ac",
"Zn",
"In"
],
"chemical_system": "Ac-In-Zn",
"density": 8.138718127709966,
"density_atomic": 0.030911649102274577,
"volume": 129.40105481805782,
"volume_molar": 19.48178416517051,
"formula_full": "Ac2 Zn1 In1",
"formula_reduced": "Ac2ZnIn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1640249962499999,
"spacegroup": 225
},
{
"id": "jvasp-37784",
"created_at": "2022-09-04T14:38:34.967426Z",
"updated_at": "2022-09-04T14:38:34.967454Z",
"structure_string": "Ga1 Si3\n1.0\n-0.000000 3.215641 3.215641\n3.215641 -0.000000 3.215641\n3.215641 3.215641 0.000000\nGa Si\n1 3\ndirect\n0.749999 0.749999 0.749999 Ga\n0.000000 0.000000 0.000000 Si\n0.499999 0.499999 0.499999 Si\n0.250000 0.250000 0.250000 Si\n",
"nsites": 4,
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"elements": [
"Ga",
"Si"
],
"chemical_system": "Ga-Si",
"density": 3.844849411688223,
"density_atomic": 0.06014884933693452,
"volume": 66.50168779777125,
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"formula_full": "Ga1 Si3",
"formula_reduced": "GaSi3",
"formula_anonymous": "AB3",
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"spacegroup": 225
},
{
"id": "jvasp-115199",
"created_at": "2022-09-04T14:38:45.585999Z",
"updated_at": "2022-09-04T14:38:45.586026Z",
"structure_string": "Li3 I1\n1.0\n8.089307 0.809525 0.491026\n-0.628825 -4.053111 -0.494528\n-1.784137 -1.423983 -3.475846\nLi I\n3 1\ndirect\n0.076038 0.023048 0.043084 Li\n0.589109 0.022973 0.556201 Li\n0.332609 0.694331 0.962854 Li\n0.832528 0.353850 0.134811 I\n",
"nsites": 4,
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"elements": [
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"I"
],
"chemical_system": "I-Li",
"density": 2.356471583435253,
"density_atomic": 0.038424819912752275,
"volume": 104.09938183399257,
"volume_molar": 15.672528260832253,
"formula_full": "Li3 I1",
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"formula_anonymous": "AB3",
"energy_above_hull": 0.58719,
"spacegroup": 187
},
{
"id": "jvasp-110853",
"created_at": "2022-09-04T14:38:37.969131Z",
"updated_at": "2022-09-04T14:38:37.969165Z",
"structure_string": "Pr1 Ho1 In2\n1.0\n4.666038 -0.000000 2.693938\n1.555346 4.399182 2.693938\n-0.000000 -0.000000 5.387876\nPr Ho In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500001 0.500000 0.500000 Ho\n0.250000 0.250000 0.250000 In\n0.750001 0.750000 0.750001 In\n",
"nsites": 4,
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"elements": [
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"Ho",
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],
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"density": 8.039881885162455,
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"volume": 110.59558573532817,
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"formula_full": "Pr1 Ho1 In2",
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"formula_anonymous": "ABC2",
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]
}