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=nsites&page=277",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=275",
"results": [
{
"id": "jvasp-116166",
"created_at": "2022-09-04T14:38:40.997363Z",
"updated_at": "2022-09-04T14:38:40.997384Z",
"structure_string": "Hg2 Cl1\n1.0\n4.191599 0.401649 -0.539640\n-1.853724 -3.730602 -0.455099\n-0.782925 1.042506 -5.183627\nHg Cl\n2 1\ndirect\n0.851014 0.252684 0.112496 Hg\n0.187901 -0.075050 0.418225 Hg\n0.519529 0.588740 0.765381 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Hg",
"Cl"
],
"chemical_system": "Cl-Hg",
"density": 8.847559289401,
"density_atomic": 0.03660825964251299,
"volume": 81.94871947739671,
"volume_molar": 16.45022412648789,
"formula_full": "Hg2 Cl1",
"formula_reduced": "Hg2Cl",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0933386666666666,
"spacegroup": 164
},
{
"id": "jvasp-116065",
"created_at": "2022-09-04T14:38:40.998082Z",
"updated_at": "2022-09-04T14:38:40.998118Z",
"structure_string": "Y1 O1 F1\n1.0\n3.987499 -0.000000 0.000000\n-1.993749 3.453275 -0.000000\n0.000000 -0.000000 4.553215\nY O F\n1 1 1\ndirect\n0.666668 0.333334 0.000000 Y\n0.333335 0.666668 0.000000 O\n0.000000 0.000000 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Y",
"O",
"F"
],
"chemical_system": "F-O-Y",
"density": 3.281582289892922,
"density_atomic": 0.04784883244771272,
"volume": 62.697454598882416,
"volume_molar": 12.585763229605975,
"formula_full": "Y1 O1 F1",
"formula_reduced": "YOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5531164108333335,
"spacegroup": 187
},
{
"id": "jvasp-114533",
"created_at": "2022-09-04T14:38:41.016957Z",
"updated_at": "2022-09-04T14:38:41.016983Z",
"structure_string": "Ba1 Bi1 F1\n1.0\n3.532466 -0.000000 -0.000000\n-0.000000 3.532466 -0.000000\n-0.000000 -0.000000 8.510194\nBa Bi F\n1 1 1\ndirect\n0.000000 0.000000 0.282683 Ba\n0.000000 0.000000 0.714594 Bi\n0.000000 0.000000 0.010180 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"F"
],
"chemical_system": "Ba-Bi-F",
"density": 5.712289737432782,
"density_atomic": 0.02825047883549059,
"volume": 106.19289030354953,
"volume_molar": 21.31695110397381,
"formula_full": "Ba1 Bi1 F1",
"formula_reduced": "BaBiF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1272133783333333,
"spacegroup": 99
},
{
"id": "jvasp-114529",
"created_at": "2022-09-04T14:38:41.026395Z",
"updated_at": "2022-09-04T14:38:41.026425Z",
"structure_string": "Ba1 Bi1 Cl1\n1.0\n5.990129 0.000000 -0.000000\n-2.995064 5.187604 0.000000\n0.000000 -0.000000 3.645267\nBa Bi Cl\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666666 0.000000 Bi\n0.666666 0.333333 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Cl"
],
"chemical_system": "Ba-Bi-Cl",
"density": 5.596385708125653,
"density_atomic": 0.026484325634532856,
"volume": 113.27454742092078,
"volume_molar": 22.738508969802663,
"formula_full": "Ba1 Bi1 Cl1",
"formula_reduced": "BaBiCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1778547279166666,
"spacegroup": 187
},
{
"id": "jvasp-116251",
"created_at": "2022-09-04T14:38:41.314379Z",
"updated_at": "2022-09-04T14:38:41.314404Z",
"structure_string": "Li1 As2\n1.0\n8.466836 0.000000 -0.000000\n0.000000 4.233418 0.000000\n-0.000000 0.000000 8.466836\nLi As\n1 2\ndirect\n-0.000068 0.000000 0.240298 Li\n-0.032523 0.000000 -0.000864 As\n0.241526 0.000000 -0.000064 As\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"As"
],
"chemical_system": "As-Li",
"density": 0.8578630146649138,
"density_atomic": 0.009885253416279268,
"volume": 303.4823563611965,
"volume_molar": 60.92044893945355,
"formula_full": "Li1 As2",
"formula_reduced": "LiAs2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8806378333333331,
"spacegroup": 6
},
{
"id": "jvasp-116081",
"created_at": "2022-09-04T14:38:41.070777Z",
"updated_at": "2022-09-04T14:38:41.070807Z",
"structure_string": "Tl1 Zn1 F1\n1.0\n4.816167 -0.000000 -0.000000\n-2.408083 4.170923 -0.000000\n-0.000000 -0.000000 3.050375\nTl Zn F\n1 1 1\ndirect\n0.333335 0.666666 0.000000 Tl\n0.666668 0.333333 0.000000 Zn\n0.000000 0.000000 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Tl",
"Zn",
"F"
],
"chemical_system": "F-Tl-Zn",
"density": 7.8260994576234815,
"density_atomic": 0.04895919989420422,
"volume": 61.27551117017211,
"volume_molar": 12.300325113590958,
"formula_full": "Tl1 Zn1 F1",
"formula_reduced": "TlZnF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0403133333333333,
"spacegroup": 187
},
{
"id": "jvasp-116083",
"created_at": "2022-09-04T14:38:41.087651Z",
"updated_at": "2022-09-04T14:38:41.087679Z",
"structure_string": "Tl1 Zn1 F1\n1.0\n3.089841 0.000000 0.000000\n0.000000 3.089841 -0.000000\n-0.000000 -0.000000 7.406534\nTl Zn F\n1 1 1\ndirect\n0.000000 0.000000 0.288742 Tl\n0.000000 0.000000 0.710622 Zn\n0.000000 0.000000 -0.031283 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Tl",
"Zn",
"F"
],
"chemical_system": "F-Tl-Zn",
"density": 6.781800680541118,
"density_atomic": 0.042426183945033766,
"volume": 70.71104966420549,
"volume_molar": 14.194396478839872,
"formula_full": "Tl1 Zn1 F1",
"formula_reduced": "TlZnF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-114391",
"created_at": "2022-09-04T14:38:41.093149Z",
"updated_at": "2022-09-04T14:38:41.093179Z",
"structure_string": "Zn1 Sn1 O1\n1.0\n6.604132 -0.000000 0.000000\n-0.000000 6.604132 0.000000\n0.000000 0.000000 4.762595\nZn Sn O\n1 1 1\ndirect\n-0.019730 0.275924 0.000000 Zn\n0.293925 -0.018177 0.000000 Sn\n-0.038107 -0.042383 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zn",
"Sn",
"O"
],
"chemical_system": "O-Sn-Zn",
"density": 1.5997826314999972,
"density_atomic": 0.01444262425987646,
"volume": 207.7184828753318,
"volume_molar": 41.696998077629914,
"formula_full": "Zn1 Sn1 O1",
"formula_reduced": "ZnSnO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5537952000000003,
"spacegroup": 6
},
{
"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-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,
"nelements": 2,
"elements": [
"B",
"Br"
],
"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",
"formula_anonymous": "AB2",
"energy_above_hull": 2.8098197572222228,
"spacegroup": 6
},
{
"id": "jvasp-116305",
"created_at": "2022-09-04T14:38:41.230090Z",
"updated_at": "2022-09-04T14:38:41.230127Z",
"structure_string": "Li2 Se1\n1.0\n9.091301 -0.000000 0.000000\n-0.000000 9.091301 0.000000\n0.000000 -0.000000 11.224076\nLi Se\n2 1\ndirect\n0.000000 0.000000 0.194737 Li\n0.000000 0.000000 0.805263 Li\n0.000000 0.000000 0.000000 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"Se"
],
"chemical_system": "Li-Se",
"density": 0.16618465217835335,
"density_atomic": 0.0032338403995461167,
"volume": 927.6895669993679,
"volume_molar": 186.22257180178818,
"formula_full": "Li2 Se1",
"formula_reduced": "Li2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8290911222222224,
"spacegroup": 123
},
{
"id": "jvasp-114686",
"created_at": "2022-09-04T14:38:41.038246Z",
"updated_at": "2022-09-04T14:38:41.038270Z",
"structure_string": "H1 C1 S1\n1.0\n3.343348 -0.000000 -0.000000\n-1.671674 2.895425 0.000000\n-0.000000 -0.000000 3.211217\nH C S\n1 1 1\ndirect\n0.333333 0.666665 0.000000 H\n0.000000 0.000000 0.000000 C\n0.666667 0.333332 0.000000 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 2.4082663254062435,
"density_atomic": 0.0965067514790926,
"volume": 31.085908022195994,
"volume_molar": 6.240123792069249,
"formula_full": "H1 C1 S1",
"formula_reduced": "HCS",
"formula_anonymous": "ABC",
"energy_above_hull": 3.74189,
"spacegroup": 187
}
]
}