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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=3573",
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"results": [
{
"id": "jvasp-4210",
"created_at": "2022-09-04T14:37:39.111111Z",
"updated_at": "2022-09-04T14:37:39.111130Z",
"structure_string": "Te16 I8\n1.0\n4.177832 0.000000 0.000000\n0.000000 13.963518 0.000000\n0.000000 0.000000 15.461642\nTe I\n16 8\ndirect\n0.250000 0.232458 0.927224 Te\n0.250000 0.298720 0.185079 Te\n0.750000 0.701280 0.814921 Te\n0.750000 0.798720 0.314921 Te\n0.250000 0.201280 0.685079 Te\n0.250000 0.562723 0.781677 Te\n0.250000 0.937277 0.281677 Te\n0.750000 0.062723 0.718323 Te\n0.750000 0.437277 0.218323 Te\n0.250000 0.587533 0.585869 Te\n0.250000 0.912467 0.085869 Te\n0.750000 0.087533 0.914131 Te\n0.250000 0.267542 0.427224 Te\n0.750000 0.732458 0.572776 Te\n0.750000 0.767542 0.072776 Te\n0.750000 0.412467 0.414131 Te\n0.250000 0.873625 0.839043 I\n0.750000 0.397640 0.945327 I\n0.250000 0.602361 0.054673 I\n0.250000 0.897640 0.554673 I\n0.750000 0.102361 0.445327 I\n0.750000 0.373625 0.660957 I\n0.250000 0.626375 0.339043 I\n0.750000 0.126375 0.160957 I\n",
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{
"id": "jvasp-55016",
"created_at": "2022-09-04T14:37:39.142748Z",
"updated_at": "2022-09-04T14:37:39.142773Z",
"structure_string": "Sm4 Sn4 Pd4\n1.0\n4.685201 0.000000 0.000000\n0.000000 7.368423 0.000000\n0.000000 0.000000 7.995139\nSm Sn Pd\n4 4 4\ndirect\n0.750000 0.510414 0.796063 Sm\n0.750000 0.010414 0.703937 Sm\n0.250000 0.989585 0.296063 Sm\n0.250000 0.489585 0.203937 Sm\n0.750000 0.191881 0.087769 Sn\n0.750000 0.691880 0.412231 Sn\n0.250000 0.808119 0.912231 Sn\n0.250000 0.308119 0.587769 Sn\n0.750000 0.795964 0.083693 Pd\n0.250000 0.204036 0.916307 Pd\n0.750000 0.295964 0.416307 Pd\n0.250000 0.704036 0.583693 Pd\n",
"nsites": 12,
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"elements": [
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"Sn",
"Pd"
],
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"density": 9.036050903473335,
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"volume": 276.0125283835942,
"volume_molar": 13.85155247874583,
"formula_full": "Sm4 Sn4 Pd4",
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"formula_anonymous": "ABC",
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"spacegroup": 62
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{
"id": "jvasp-23841",
"created_at": "2022-09-04T14:37:39.295194Z",
"updated_at": "2022-09-04T14:37:39.295204Z",
"structure_string": "Nb4 Si4 Pd4\n1.0\n3.792806 -0.000000 0.000000\n-0.000000 6.512756 0.000000\n0.000000 0.000000 7.513046\nNb Si Pd\n4 4 4\ndirect\n0.750001 0.527404 0.836719 Nb\n0.250000 0.972597 0.336719 Nb\n0.750001 0.027403 0.663282 Nb\n0.250000 0.472597 0.163282 Nb\n0.250000 0.231046 0.869839 Si\n0.250000 0.731047 0.630162 Si\n0.750001 0.768954 0.130162 Si\n0.750001 0.268954 0.369839 Si\n0.250000 0.851646 0.937042 Pd\n0.250000 0.351646 0.562959 Pd\n0.750001 0.648355 0.437042 Pd\n0.750001 0.148354 0.062959 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
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],
"chemical_system": "Nb-Pd-Si",
"density": 8.139181860438239,
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"volume": 185.5844075849749,
"volume_molar": 9.313461877816087,
"formula_full": "Nb4 Si4 Pd4",
"formula_reduced": "NbSiPd",
"formula_anonymous": "ABC",
"energy_above_hull": 2.8421512333333334,
"spacegroup": 62
},
{
"id": "jvasp-20375",
"created_at": "2022-09-04T14:37:39.325692Z",
"updated_at": "2022-09-04T14:37:39.325710Z",
"structure_string": "Ni12 B4\n1.0\n4.411370 0.000000 0.000000\n-0.000000 5.184946 0.000000\n0.000000 0.000000 6.644315\nNi B\n12 4\ndirect\n0.657488 0.820218 0.937250 Ni\n0.157488 0.679783 0.062750 Ni\n0.842512 0.320218 0.562751 Ni\n0.342512 0.179783 0.437250 Ni\n0.866860 0.027267 0.250000 Ni\n0.366860 0.472733 0.750001 Ni\n0.633140 0.527268 0.250000 Ni\n0.133140 0.972733 0.750001 Ni\n0.657488 0.820218 0.562751 Ni\n0.157488 0.679783 0.437250 Ni\n0.842512 0.320218 0.937250 Ni\n0.342512 0.179783 0.062750 Ni\n0.559221 0.118028 0.750001 B\n0.059221 0.381973 0.250000 B\n0.940779 0.618028 0.750001 B\n0.440779 0.881973 0.250000 B\n",
"nsites": 16,
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"elements": [
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"B"
],
"chemical_system": "B-Ni",
"density": 8.168268491231547,
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"volume": 151.97352493341623,
"volume_molar": 5.7200372433900135,
"formula_full": "Ni12 B4",
"formula_reduced": "Ni3B",
"formula_anonymous": "AB3",
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"spacegroup": 62
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{
"id": "jvasp-23851",
"created_at": "2022-09-04T14:37:39.348012Z",
"updated_at": "2022-09-04T14:37:39.348029Z",
"structure_string": "Lu4 Si4 Rh4\n1.0\n4.189206 -0.000000 0.000000\n-0.000000 6.745033 0.000000\n0.000000 0.000000 7.352306\nLu Si Rh\n4 4 4\ndirect\n0.250000 0.002140 0.808836 Lu\n0.750001 0.997860 0.191164 Lu\n0.250000 0.502139 0.691165 Lu\n0.750001 0.497860 0.308836 Lu\n0.250000 0.291463 0.106537 Si\n0.750001 0.708536 0.893463 Si\n0.250000 0.791463 0.393463 Si\n0.750001 0.208536 0.606538 Si\n0.750001 0.842786 0.568278 Rh\n0.250000 0.157214 0.431722 Rh\n0.750001 0.342786 0.931722 Rh\n0.250000 0.657214 0.068278 Rh\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Lu-Rh-Si",
"density": 9.782087259301628,
"density_atomic": 0.05776195401572249,
"volume": 207.7492045496533,
"volume_molar": 10.42579127146704,
"formula_full": "Lu4 Si4 Rh4",
"formula_reduced": "LuSiRh",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8265891166666663,
"spacegroup": 62
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{
"id": "jvasp-23763",
"created_at": "2022-09-04T14:37:39.397999Z",
"updated_at": "2022-09-04T14:37:39.398011Z",
"structure_string": "Sr4 In4 Pt4\n1.0\n4.555197 0.000000 0.000000\n0.000000 7.605957 0.000000\n0.000000 0.000000 8.594013\nSr In Pt\n4 4 4\ndirect\n0.750001 0.970450 0.679759 Sr\n0.250000 0.029550 0.320240 Sr\n0.750001 0.470450 0.820240 Sr\n0.250000 0.529550 0.179759 Sr\n0.750001 0.351216 0.433549 In\n0.250000 0.148784 0.933549 In\n0.250000 0.648784 0.566451 In\n0.750001 0.851217 0.066451 In\n0.250000 0.775047 0.880019 Pt\n0.250000 0.275047 0.619981 Pt\n0.750001 0.724954 0.380019 Pt\n0.750001 0.224953 0.119981 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"In",
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],
"chemical_system": "In-Pt-Sr",
"density": 8.867745521861439,
"density_atomic": 0.04030177834808949,
"volume": 297.7536101845208,
"volume_molar": 14.94261793607795,
"formula_full": "Sr4 In4 Pt4",
"formula_reduced": "SrInPt",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2140977608333333,
"spacegroup": 62
},
{
"id": "jvasp-13162",
"created_at": "2022-09-04T14:37:39.665842Z",
"updated_at": "2022-09-04T14:37:39.665865Z",
"structure_string": "Li4 Ca4 N4\n1.0\n3.635835 -0.000000 0.000000\n-0.000000 5.507120 0.000000\n0.000000 0.000000 8.467586\nLi Ca N\n4 4 4\ndirect\n0.250000 0.574787 0.046476 Li\n0.749999 0.425212 0.953524 Li\n0.749999 0.074788 0.453524 Li\n0.250000 0.925212 0.546477 Li\n0.250000 0.474184 0.656473 Ca\n0.749999 0.974184 0.843527 Ca\n0.250000 0.025816 0.156473 Ca\n0.749999 0.525816 0.343527 Ca\n0.749999 0.738486 0.091825 N\n0.749999 0.761514 0.591825 N\n0.250000 0.261514 0.908176 N\n0.250000 0.238486 0.408176 N\n",
"nsites": 12,
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"elements": [
"Li",
"Ca",
"N"
],
"chemical_system": "Ca-Li-N",
"density": 2.390746542940359,
"density_atomic": 0.07077712607006062,
"volume": 169.5463021219805,
"volume_molar": 8.508597472633777,
"formula_full": "Li4 Ca4 N4",
"formula_reduced": "LiCaN",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3170945566666663,
"spacegroup": 62
},
{
"id": "jvasp-23457",
"created_at": "2022-09-04T14:37:39.831118Z",
"updated_at": "2022-09-04T14:37:39.831136Z",
"structure_string": "Tb4 Si4 Ru4\n1.0\n4.378191 -0.000000 0.000000\n-0.000000 7.034508 0.000000\n0.000000 0.000000 7.073573\nTb Si Ru\n4 4 4\ndirect\n0.250000 0.982485 0.814710 Tb\n0.750000 0.017516 0.185290 Tb\n0.250000 0.482485 0.685290 Tb\n0.750000 0.517516 0.314710 Tb\n0.250000 0.305532 0.106479 Si\n0.750000 0.694469 0.893521 Si\n0.250000 0.805532 0.393521 Si\n0.750000 0.194469 0.606479 Si\n0.750000 0.847040 0.568060 Ru\n0.250000 0.152961 0.431939 Ru\n0.750000 0.347040 0.931939 Ru\n0.250000 0.652961 0.068061 Ru\n",
"nsites": 12,
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"elements": [
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"chemical_system": "Ru-Si-Tb",
"density": 8.783269467652213,
"density_atomic": 0.0550825420212669,
"volume": 217.85486943153245,
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"formula_full": "Tb4 Si4 Ru4",
"formula_reduced": "TbSiRu",
"formula_anonymous": "ABC",
"energy_above_hull": 2.4193425,
"spacegroup": 62
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{
"id": "jvasp-299",
"created_at": "2022-09-04T14:37:39.922253Z",
"updated_at": "2022-09-04T14:37:39.922275Z",
"structure_string": "Sn4 Se4\n1.0\n4.213348 -0.000000 0.000000\n-0.000000 4.520400 0.000000\n0.000000 0.000000 11.778176\nSn Se\n4 4\ndirect\n0.750000 0.385714 0.620841 Sn\n0.250000 0.614286 0.379160 Sn\n0.250000 0.885714 0.879160 Sn\n0.750000 0.114286 0.120841 Sn\n0.750000 0.027771 0.355276 Se\n0.250000 0.972229 0.644724 Se\n0.250000 0.527771 0.144724 Se\n0.750000 0.472229 0.855276 Se\n",
"nsites": 8,
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"elements": [
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"density": 5.852852967969014,
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"volume": 224.32735562719827,
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"formula_full": "Sn4 Se4",
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"formula_anonymous": "AB",
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"spacegroup": 62
},
{
"id": "jvasp-23447",
"created_at": "2022-09-04T14:37:40.005377Z",
"updated_at": "2022-09-04T14:37:40.005394Z",
"structure_string": "Yb4 Sb4 Pd4\n1.0\n4.655863 -0.000000 0.000000\n0.000000 7.261418 0.000000\n0.000000 0.000000 7.927010\nYb Sb Pd\n4 4 4\ndirect\n0.250000 0.492802 0.206774 Yb\n0.750000 0.507198 0.793226 Yb\n0.250000 0.992802 0.293226 Yb\n0.750000 0.007198 0.706774 Yb\n0.250000 0.298607 0.591626 Sb\n0.750000 0.201393 0.091626 Sb\n0.250000 0.798608 0.908374 Sb\n0.750000 0.701393 0.408374 Sb\n0.750000 0.307192 0.419676 Pd\n0.250000 0.192808 0.919676 Pd\n0.750000 0.807192 0.080324 Pd\n0.250000 0.692808 0.580324 Pd\n",
"nsites": 12,
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"elements": [
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],
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"density": 9.943988795513627,
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"volume": 267.99768101180337,
"volume_molar": 13.449331320055492,
"formula_full": "Yb4 Sb4 Pd4",
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"formula_anonymous": "ABC",
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{
"id": "jvasp-23450",
"created_at": "2022-09-04T14:37:40.011876Z",
"updated_at": "2022-09-04T14:37:40.011904Z",
"structure_string": "Dy4 Si4 Pt4\n1.0\n4.296784 -0.000000 0.000000\n-0.000000 7.015554 0.000000\n0.000000 0.000000 7.480428\nDy Si Pt\n4 4 4\ndirect\n0.749999 0.503781 0.799732 Dy\n0.250000 0.996218 0.299732 Dy\n0.749999 0.003781 0.700269 Dy\n0.250000 0.496219 0.200269 Dy\n0.250000 0.813270 0.912204 Si\n0.250000 0.313270 0.587797 Si\n0.749999 0.186730 0.087797 Si\n0.749999 0.686729 0.412204 Si\n0.250000 0.701639 0.585370 Pt\n0.250000 0.201639 0.914631 Pt\n0.749999 0.798360 0.085369 Pt\n0.749999 0.298361 0.414631 Pt\n",
"nsites": 12,
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],
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"density": 11.360369114135231,
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"volume": 225.4924167029896,
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"formula_full": "Dy4 Si4 Pt4",
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{
"id": "jvasp-23737",
"created_at": "2022-09-04T14:37:40.039558Z",
"updated_at": "2022-09-04T14:37:40.039568Z",
"structure_string": "Dy4 Ga4 Pd4\n1.0\n4.452433 -0.000000 0.000000\n-0.000000 6.895924 0.000000\n0.000000 0.000000 7.648671\nDy Ga Pd\n4 4 4\ndirect\n0.250000 0.484365 0.200813 Dy\n0.750000 0.515634 0.799187 Dy\n0.250000 0.984365 0.299187 Dy\n0.750000 0.015635 0.700813 Dy\n0.250000 0.820399 0.922437 Ga\n0.750000 0.179600 0.077562 Ga\n0.250000 0.320400 0.577562 Ga\n0.750000 0.679600 0.422437 Ga\n0.750000 0.779764 0.094342 Pd\n0.250000 0.220236 0.905658 Pd\n0.750000 0.279764 0.405658 Pd\n0.250000 0.720235 0.594342 Pd\n",
"nsites": 12,
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],
"chemical_system": "Dy-Ga-Pd",
"density": 9.578011444647315,
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"volume": 234.84203767364787,
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"formula_full": "Dy4 Ga4 Pd4",
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"formula_anonymous": "ABC",
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"spacegroup": 62
}
]
}