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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=1107",
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"results": [
{
"id": "jvasp-18007",
"created_at": "2022-09-04T14:38:12.353580Z",
"updated_at": "2022-09-04T14:38:12.353597Z",
"structure_string": "Pb1 Se1\n1.0\n3.772611 -0.000000 0.000000\n-0.000000 3.772611 -0.000000\n0.000000 -0.000000 3.772611\nPb Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 Se\n",
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"density": 8.84976919890378,
"density_atomic": 0.03724808207137857,
"volume": 53.69403976740053,
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"formula_full": "Pb1 Se1",
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{
"id": "jvasp-9609",
"created_at": "2022-09-04T14:38:12.352196Z",
"updated_at": "2022-09-04T14:38:12.352222Z",
"structure_string": "Na4 Si2 O6\n1.0\n4.842218 -0.000000 0.000000\n-0.000000 5.286294 -3.045706\n0.000000 -0.001681 6.107527\nNa Si O\n4 2 6\ndirect\n0.502070 0.504004 0.331425 Na\n0.502070 0.172578 0.668575 Na\n0.002070 0.495995 0.668575 Na\n0.002070 0.827421 0.331425 Na\n0.539274 0.841060 -0.000001 Si\n0.039274 0.158939 -0.000000 Si\n0.378459 0.086805 -0.000000 O\n0.878459 0.913194 -0.000001 O\n0.482365 0.580142 0.739118 O\n0.982365 0.419858 0.260881 O\n0.482365 0.841023 0.260881 O\n0.982365 0.158976 0.739119 O\n",
"nsites": 12,
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"elements": [
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"volume": 156.3119467541057,
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"formula_full": "Na4 Si2 O6",
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{
"id": "jvasp-30064",
"created_at": "2022-09-04T14:38:12.350483Z",
"updated_at": "2022-09-04T14:38:12.350518Z",
"structure_string": "Ag4 H4 I2 O2 F2\n1.0\n4.687874 0.000000 -0.423957\n0.000000 7.878845 0.000000\n-0.208260 0.000000 6.148403\nAg H I O F\n4 4 2 2 2\ndirect\n0.898113 0.465582 0.698263 Ag\n0.101886 -0.034417 0.301736 Ag\n0.998923 0.097052 0.715952 Ag\n0.001076 0.597051 0.284047 Ag\n0.280465 0.730334 0.956777 H\n0.719534 0.230335 0.043222 H\n0.414432 0.537582 -0.003125 H\n0.585567 0.037582 0.003124 H\n0.663855 0.797498 0.522019 I\n0.336144 0.297499 0.477981 I\n0.231362 0.606798 -0.025027 O\n0.768637 0.106798 0.025026 O\n0.316142 0.927852 -0.028389 F\n0.683857 0.427852 0.028389 F\n",
"nsites": 14,
"nelements": 5,
"elements": [
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"H",
"I",
"O",
"F"
],
"chemical_system": "Ag-F-H-I-O",
"density": 5.569283281999651,
"density_atomic": 0.06183859856227566,
"volume": 226.39581629426888,
"volume_molar": 9.738481951422777,
"formula_full": "Ag4 H4 I2 O2 F2",
"formula_reduced": "Ag2H2IOF",
"formula_anonymous": "ABCD2E2",
"energy_above_hull": 0.9485592253571432,
"spacegroup": 4
},
{
"id": "jvasp-55672",
"created_at": "2022-09-04T14:38:12.345196Z",
"updated_at": "2022-09-04T14:38:12.345223Z",
"structure_string": "Nb4 Se4 Br12\n1.0\n0.000000 6.611256 0.092565\n6.942064 0.000000 0.000000\n0.000000 -1.846377 -12.505570\nNb Se Br\n4 4 12\ndirect\n0.071675 0.642351 0.149587 Nb\n0.928326 0.642351 0.350412 Nb\n0.928325 0.357648 0.850412 Nb\n0.071674 0.357648 0.649587 Nb\n0.166051 0.083500 0.800305 Se\n0.166051 0.916500 0.300305 Se\n0.833949 0.916500 0.199694 Se\n0.833949 0.083500 0.699694 Se\n0.158372 0.687796 0.543881 Br\n0.158372 0.312204 0.043881 Br\n0.257294 0.564803 0.807365 Br\n0.742706 0.564803 0.692634 Br\n0.742707 0.435196 0.192634 Br\n0.634493 0.799097 0.426688 Br\n0.365507 0.200903 0.573312 Br\n0.634493 0.200903 0.926688 Br\n0.841628 0.687796 0.956119 Br\n0.365507 0.799097 0.073312 Br\n0.257294 0.435196 0.307365 Br\n0.841628 0.312204 0.456119 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nb",
"Se",
"Br"
],
"chemical_system": "Br-Nb-Se",
"density": 4.772921156650841,
"density_atomic": 0.0349182615613415,
"volume": 572.7662004268358,
"volume_molar": 17.246393407703888,
"formula_full": "Nb4 Se4 Br12",
"formula_reduced": "NbSeBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.241267016333333,
"spacegroup": 13
},
{
"id": "jvasp-44778",
"created_at": "2022-09-04T14:38:12.340418Z",
"updated_at": "2022-09-04T14:38:12.340450Z",
"structure_string": "Na12 Ni4 O8\n1.0\n0.000000 5.468900 -0.001220\n6.270475 0.000000 0.000000\n0.000000 -0.002398 -10.718765\nNa Ni O\n12 4 8\ndirect\n0.790949 0.500000 0.084257 Na\n0.629973 0.748544 0.856405 Na\n0.629973 0.251457 0.856405 Na\n0.129974 0.248540 0.643596 Na\n0.129974 0.751460 0.643596 Na\n0.709052 0.500000 0.584261 Na\n0.209051 0.000000 0.915744 Na\n0.870027 0.748543 0.356405 Na\n0.870027 0.251458 0.356405 Na\n0.370026 0.751460 0.143595 Na\n0.370026 0.248541 0.143595 Na\n0.290948 0.000000 0.415739 Na\n0.646985 0.000000 0.616079 Ni\n0.146987 0.500000 0.883922 Ni\n0.853011 0.000000 0.116079 Ni\n0.353014 0.500000 0.383922 Ni\n0.904406 0.500000 0.773497 O\n0.594351 0.000000 0.017652 O\n0.095597 0.000000 0.226506 O\n0.595598 0.500000 0.273495 O\n0.094353 0.500000 0.482348 O\n0.905649 0.000000 0.517652 O\n0.404401 0.000000 0.726506 O\n0.405645 0.500000 0.982348 O\n",
"nsites": 24,
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"elements": [
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"Ni",
"O"
],
"chemical_system": "Na-Ni-O",
"density": 2.885121592646335,
"density_atomic": 0.0652929134204871,
"volume": 367.5743467815524,
"volume_molar": 9.22326856701484,
"formula_full": "Na12 Ni4 O8",
"formula_reduced": "Na3NiO2",
"formula_anonymous": "AB2C3",
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"spacegroup": 62
},
{
"id": "jvasp-108085",
"created_at": "2022-09-04T14:38:12.340245Z",
"updated_at": "2022-09-04T14:38:12.340272Z",
"structure_string": "Pr2 Al1 Si1\n1.0\n6.124147 0.014369 0.000000\n-4.469066 4.187223 0.000000\n0.000000 0.000000 4.097341\nPr Al Si\n2 1 1\ndirect\n0.358303 0.641696 -0.000000 Pr\n0.644812 0.355188 0.500000 Pr\n0.067136 0.932862 -0.000000 Al\n0.929748 0.070253 0.500000 Si\n",
"nsites": 4,
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"elements": [
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"Al",
"Si"
],
"chemical_system": "Al-Pr-Si",
"density": 5.310890245752944,
"density_atomic": 0.03797519189020239,
"volume": 105.33192331365154,
"volume_molar": 15.858091717908383,
"formula_full": "Pr2 Al1 Si1",
"formula_reduced": "Pr2AlSi",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.893325275,
"spacegroup": 38
},
{
"id": "jvasp-12314",
"created_at": "2022-09-04T14:38:12.337058Z",
"updated_at": "2022-09-04T14:38:12.337075Z",
"structure_string": "Ga4 Pb2 O8\n1.0\n5.311427 0.000000 0.000000\n-2.655714 4.721810 0.000000\n0.000000 -0.000000 8.632733\nGa Pb O\n4 2 8\ndirect\n0.709945 0.346644 0.447806 Ga\n0.363302 0.653356 0.552194 Ga\n0.709945 0.346644 0.052194 Ga\n0.363302 0.653356 0.947806 Ga\n0.022297 0.048209 0.250000 Pb\n0.974089 0.951791 0.750000 Pb\n0.873677 0.386957 0.250000 O\n0.486720 0.613043 0.750000 O\n0.679818 -0.000000 0.500000 O\n0.679818 -0.000000 0.000000 O\n0.369326 0.361804 0.439609 O\n0.007522 0.638196 0.560390 O\n0.007522 0.638196 0.939609 O\n0.369326 0.361804 0.060390 O\n",
"nsites": 14,
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"elements": [
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"Pb",
"O"
],
"chemical_system": "Ga-O-Pb",
"density": 6.299065412421632,
"density_atomic": 0.064663618301154,
"volume": 216.5050513381209,
"volume_molar": 9.313027817208502,
"formula_full": "Ga4 Pb2 O8",
"formula_reduced": "Ga2PbO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.213939924285714,
"spacegroup": 40
},
{
"id": "jvasp-17773",
"created_at": "2022-09-04T14:38:12.334729Z",
"updated_at": "2022-09-04T14:38:12.334755Z",
"structure_string": "Ce1 Tl3\n1.0\n4.799413 0.000000 -0.000000\n-0.000000 4.799413 0.000000\n0.000000 0.000000 4.799413\nCe Tl\n1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.500000 0.000000 0.500000 Tl\n",
"nsites": 4,
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],
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"density": 11.31443923675755,
"density_atomic": 0.03618225422272144,
"volume": 110.55143152159137,
"volume_molar": 16.643907046063106,
"formula_full": "Ce1 Tl3",
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},
{
"id": "jvasp-12555",
"created_at": "2022-09-04T14:38:12.330193Z",
"updated_at": "2022-09-04T14:38:12.330220Z",
"structure_string": "Na2 Al2 H8\n1.0\n4.606861 0.000000 -1.888166\n-0.773884 4.541395 -1.888166\n0.008042 0.009529 6.583751\nNa Al H\n2 2 8\ndirect\n0.125000 0.375000 0.250000 Na\n0.875000 0.625001 0.749999 Na\n0.625001 0.875001 0.250000 Al\n0.375000 0.125000 0.750000 Al\n0.693523 0.346261 0.910939 H\n0.564678 0.193524 0.410939 H\n0.846261 0.717417 0.410939 H\n0.217415 0.064679 0.910939 H\n0.782585 0.935323 0.089060 H\n0.153739 0.282585 0.589061 H\n0.435322 0.806478 0.589061 H\n0.306477 0.653740 0.089061 H\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Al-H-Na",
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"density_atomic": 0.08701439560627401,
"volume": 137.90821526012832,
"volume_molar": 6.9208557021406065,
"formula_full": "Na2 Al2 H8",
"formula_reduced": "NaAlH4",
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"spacegroup": 88
},
{
"id": "jvasp-20649",
"created_at": "2022-09-04T14:38:12.328627Z",
"updated_at": "2022-09-04T14:38:12.328663Z",
"structure_string": "Ag3 Sb1\n1.0\n3.283938 0.000000 0.000000\n0.000000 4.738290 0.000000\n0.000000 0.000000 5.149086\nAg Sb\n3 1\ndirect\n0.500000 0.500000 0.828268 Ag\n0.000000 0.500000 0.355237 Ag\n0.500000 0.000000 0.494713 Ag\n0.000000 0.000000 0.001784 Sb\n",
"nsites": 4,
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"elements": [
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],
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"density": 9.230347666316147,
"density_atomic": 0.04992444655861991,
"volume": 80.12106844896738,
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"formula_full": "Ag3 Sb1",
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"spacegroup": 25
},
{
"id": "jvasp-108865",
"created_at": "2022-09-04T14:38:12.321696Z",
"updated_at": "2022-09-04T14:38:12.321719Z",
"structure_string": "K1 Rb2 Ga1 Br6\n1.0\n6.846323 -0.000000 3.952726\n2.282108 6.454775 3.952726\n-0.000000 -0.000000 7.905453\nK Rb Ga Br\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.771662 0.228338 0.228338 Br\n0.228338 0.228338 0.771662 Br\n0.228338 0.771663 0.771662 Br\n0.228338 0.771663 0.228338 Br\n0.771662 0.228338 0.771662 Br\n0.771662 0.771663 0.228339 Br\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Br-Ga-K-Rb",
"density": 3.6085200005708304,
"density_atomic": 0.028624291504465663,
"volume": 349.35362499504674,
"volume_molar": 21.03856704736426,
"formula_full": "K1 Rb2 Ga1 Br6",
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"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-55286",
"created_at": "2022-09-04T14:38:12.321566Z",
"updated_at": "2022-09-04T14:38:12.321585Z",
"structure_string": "Sr3 Cu6 Ge3 S12\n1.0\n3.087702 -5.348056 -0.000000\n3.087702 5.348056 0.000000\n-0.000000 0.000000 15.317464\nSr Cu Ge S\n3 6 3 12\ndirect\n0.778903 0.666658 0.917134 Sr\n0.333342 0.112245 0.583802 Sr\n0.887755 0.221096 0.250468 Sr\n0.674624 0.592184 0.162008 Cu\n0.258923 0.007986 0.338908 Cu\n0.749063 0.741076 0.672242 Cu\n0.407816 0.082440 0.828675 Cu\n0.917559 0.325375 0.495341 Cu\n0.992014 0.250936 0.005575 Cu\n0.333319 0.954037 0.083795 Ge\n0.620717 0.666680 0.417128 Ge\n0.045963 0.379282 0.750461 Ge\n0.828616 0.633069 0.532461 S\n0.097237 0.768164 0.748133 S\n0.231836 0.329073 0.414800 S\n0.670926 0.902762 0.081467 S\n0.434837 0.430572 0.752801 S\n0.569427 0.004264 0.419467 S\n0.995735 0.565162 0.086134 S\n0.299699 0.161921 0.968459 S\n0.838079 0.137778 0.635126 S\n0.366930 0.195546 0.199127 S\n0.804453 0.171383 0.865794 S\n0.862221 0.700300 0.301793 S\n",
"nsites": 24,
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"elements": [
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"S"
],
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"density_atomic": 0.04744200691643287,
"volume": 505.88079130537216,
"volume_molar": 12.693688887588063,
"formula_full": "Sr3 Cu6 Ge3 S12",
"formula_reduced": "SrCu2GeS4",
"formula_anonymous": "ABC2D4",
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}
]
}