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"results": [
{
"id": "jvasp-114465",
"created_at": "2022-09-04T14:38:41.141738Z",
"updated_at": "2022-09-04T14:38:41.141774Z",
"structure_string": "B2 Br1\n1.0\n8.328137 0.000000 -4.397166\n0.000000 3.421533 0.000000\n-5.119897 0.000000 4.749852\nB Br\n2 1\ndirect\n-0.212842 0.000000 -0.331060 B\n0.292830 0.000000 0.173670 B\n0.082231 0.000000 0.345612 Br\n",
"nsites": 3,
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"elements": [
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"chemical_system": "B-Br",
"density": 2.8908423092075126,
"density_atomic": 0.051442170400766166,
"volume": 58.31791265081068,
"volume_molar": 11.706622627085554,
"formula_full": "B2 Br1",
"formula_reduced": "B2Br",
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{
"id": "jvasp-56739",
"created_at": "2022-09-04T14:38:30.539553Z",
"updated_at": "2022-09-04T14:38:30.539581Z",
"structure_string": "Sr2 In8\n1.0\n5.216751 0.013259 -0.001557\n2.591761 6.085490 0.031555\n2.605372 1.855730 9.153613\nSr In\n2 8\ndirect\n0.835953 0.619674 0.708348 Sr\n0.164046 0.380326 0.291652 Sr\n0.155823 0.039197 0.649163 In\n0.565878 0.768180 0.101030 In\n0.844176 0.960803 0.350837 In\n0.422873 0.731308 0.422822 In\n0.434121 0.231820 0.898970 In\n0.847072 0.252400 0.052709 In\n0.577126 0.268693 0.577178 In\n0.152928 0.747600 0.947291 In\n",
"nsites": 10,
"nelements": 2,
"elements": [
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"In"
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"chemical_system": "In-Sr",
"density": 6.263148394096715,
"density_atomic": 0.03448355547626657,
"volume": 289.9932985994596,
"volume_molar": 17.463804636226563,
"formula_full": "Sr2 In8",
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"formula_anonymous": "AB4",
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"spacegroup": 12
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{
"id": "jvasp-19619",
"created_at": "2022-09-04T14:38:33.267740Z",
"updated_at": "2022-09-04T14:38:33.267767Z",
"structure_string": "Cd2 Pt2\n1.0\n3.905969 -0.000000 0.000000\n0.000000 4.235363 0.000000\n0.000000 0.000000 4.235363\nCd Pt\n2 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Pt"
],
"chemical_system": "Cd-Pt",
"density": 14.574950306549425,
"density_atomic": 0.05708866963454888,
"volume": 70.06644270405774,
"volume_molar": 10.548749512907767,
"formula_full": "Cd2 Pt2",
"formula_reduced": "CdPt",
"formula_anonymous": "AB",
"energy_above_hull": 0.6235621333333332,
"spacegroup": 123
},
{
"id": "jvasp-115615",
"created_at": "2022-09-04T14:38:45.202953Z",
"updated_at": "2022-09-04T14:38:45.202973Z",
"structure_string": "Be1 Br3\n1.0\n5.053283 -0.199104 0.664534\n1.252689 -5.580488 0.661743\n0.908522 0.175351 -3.560296\nBe Br\n1 3\ndirect\n0.452298 0.300085 0.074446 Be\n0.808560 -0.006976 0.951650 Br\n0.179524 0.310664 0.629705 Br\n0.501887 0.648892 0.262877 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Be",
"Br"
],
"chemical_system": "Be-Br",
"density": 4.036488475231041,
"density_atomic": 0.039092783961568366,
"volume": 102.32067391087702,
"volume_molar": 15.404737523734028,
"formula_full": "Be1 Br3",
"formula_reduced": "BeBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2223221037499999,
"spacegroup": 1
},
{
"id": "jvasp-116213",
"created_at": "2022-09-04T14:38:41.096884Z",
"updated_at": "2022-09-04T14:38:41.096908Z",
"structure_string": "P2 Ir1\n1.0\n4.953179 0.000000 0.000000\n0.000000 3.764598 0.000000\n0.000000 0.000000 2.822853\nP Ir\n2 1\ndirect\n0.282131 -0.049336 0.000000 P\n0.717869 -0.049336 0.000000 P\n0.000000 0.450672 0.000000 Ir\n",
"nsites": 3,
"nelements": 2,
"elements": [
"P",
"Ir"
],
"chemical_system": "Ir-P",
"density": 8.01813079870313,
"density_atomic": 0.05699416058383685,
"volume": 52.63697138914928,
"volume_molar": 10.56624169618499,
"formula_full": "P2 Ir1",
"formula_reduced": "P2Ir",
"formula_anonymous": "AB2",
"energy_above_hull": 3.1060307000000007,
"spacegroup": 47
},
{
"id": "jvasp-118501",
"created_at": "2022-09-04T14:38:34.211642Z",
"updated_at": "2022-09-04T14:38:34.211676Z",
"structure_string": "H2 S1\n1.0\n3.770616 0.209849 -0.301589\n0.118747 -2.373086 -0.163781\n1.140109 -2.072196 -3.820759\nH S\n2 1\ndirect\n0.586119 0.773487 0.480883 H\n0.377772 0.565649 0.689029 H\n0.981931 0.169624 0.084895 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"H",
"S"
],
"chemical_system": "H-S",
"density": 1.7562968039659017,
"density_atomic": 0.09310205522987543,
"volume": 32.222704349466746,
"volume_molar": 6.468322042011766,
"formula_full": "H2 S1",
"formula_reduced": "H2S",
"formula_anonymous": "AB2",
"energy_above_hull": 2.21794,
"spacegroup": 65
},
{
"id": "jvasp-113664",
"created_at": "2022-09-04T14:38:45.557329Z",
"updated_at": "2022-09-04T14:38:45.557362Z",
"structure_string": "Li2 Br1\n1.0\n3.659341 0.000000 0.000000\n0.000000 3.720123 0.000000\n0.000000 0.000000 6.275655\nLi Br\n2 1\ndirect\n-0.033319 0.000000 0.733276 Li\n-0.033319 0.000000 0.266724 Li\n0.466637 0.000000 0.000000 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"Br"
],
"chemical_system": "Br-Li",
"density": 1.822921089800337,
"density_atomic": 0.03511575523301117,
"volume": 85.43173797896274,
"volume_molar": 17.149398382691718,
"formula_full": "Li2 Br1",
"formula_reduced": "Li2Br",
"formula_anonymous": "AB2",
"energy_above_hull": 0.54291,
"spacegroup": 47
},
{
"id": "jvasp-16840",
"created_at": "2022-09-04T14:38:33.040111Z",
"updated_at": "2022-09-04T14:38:33.040136Z",
"structure_string": "Hf4 Al2\n1.0\n4.541488 0.000000 2.551977\n2.270744 4.830981 1.275988\n-0.095859 0.000000 5.487587\nHf Al\n4 2\ndirect\n0.650662 0.198677 0.500001 Hf\n0.849338 0.500000 0.801324 Hf\n0.349338 0.801323 0.500001 Hf\n0.150661 0.500000 0.198677 Hf\n0.750000 -0.000000 0.000000 Al\n0.250000 -0.000000 0.000000 Al\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hf",
"Al"
],
"chemical_system": "Al-Hf",
"density": 10.48841090695357,
"density_atomic": 0.04935079207349129,
"volume": 121.57859576123991,
"volume_molar": 12.202723617955435,
"formula_full": "Hf4 Al2",
"formula_reduced": "Hf2Al",
"formula_anonymous": "AB2",
"energy_above_hull": 3.658402933333334,
"spacegroup": 140
},
{
"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,
"nelements": 2,
"elements": [
"Li",
"I"
],
"chemical_system": "I-Li",
"density": 2.356471583435253,
"density_atomic": 0.038424819912752275,
"volume": 104.09938183399257,
"volume_molar": 15.672528260832253,
"formula_full": "Li3 I1",
"formula_reduced": "Li3I",
"formula_anonymous": "AB3",
"energy_above_hull": 0.58719,
"spacegroup": 187
},
{
"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,
"nelements": 2,
"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-29657",
"created_at": "2022-09-04T14:38:34.049267Z",
"updated_at": "2022-09-04T14:38:34.049286Z",
"structure_string": "Fe1 Cl2\n1.0\n3.390981 -0.000000 0.000000\n-1.695490 2.936675 0.000000\n0.000000 -0.000000 5.428146\nFe Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.666667 0.333334 0.775347 Cl\n0.333333 0.666668 0.224653 Cl\n",
"nsites": 3,
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"elements": [
"Fe",
"Cl"
],
"chemical_system": "Cl-Fe",
"density": 3.8937469971427983,
"density_atomic": 0.05549942606068106,
"volume": 54.05461304626662,
"volume_molar": 10.850816283064999,
"formula_full": "Fe1 Cl2",
"formula_reduced": "FeCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9010312116666664,
"spacegroup": 164
},
{
"id": "jvasp-37778",
"created_at": "2022-09-04T14:38:33.053935Z",
"updated_at": "2022-09-04T14:38:33.053959Z",
"structure_string": "Tl6 Pb2\n1.0\n3.546360 -6.142475 0.000000\n3.546360 6.142475 -0.000000\n-0.000000 0.000000 5.657000\nTl Pb\n6 2\ndirect\n0.831865 0.168135 0.750000 Tl\n0.336271 0.168135 0.750000 Tl\n0.831865 0.663729 0.750000 Tl\n0.168135 0.831865 0.250000 Tl\n0.663729 0.831865 0.250000 Tl\n0.168135 0.336271 0.250000 Tl\n0.666667 0.333333 0.250000 Pb\n0.333333 0.666667 0.750000 Pb\n",
"nsites": 8,
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"elements": [
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"Pb"
],
"chemical_system": "Pb-Tl",
"density": 11.054416684128025,
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"volume": 246.457700330274,
"volume_molar": 18.552537034685106,
"formula_full": "Tl6 Pb2",
"formula_reduced": "Tl3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
}
]
}