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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=3649",
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"results": [
{
"id": "jvasp-18856",
"created_at": "2022-09-04T14:36:59.227518Z",
"updated_at": "2022-09-04T14:36:59.227540Z",
"structure_string": "Y2 Zr2 Sb2\n1.0\n4.139038 0.000000 -1.042773\n-0.262713 4.130693 -1.042773\n0.030222 0.032205 8.855803\nY Zr Sb\n2 2 2\ndirect\n0.323175 0.323174 0.646350 Y\n0.676826 0.676824 0.353651 Y\n0.500000 -0.000000 0.000000 Zr\n0.000000 0.500000 0.000000 Zr\n0.133786 0.133786 0.267571 Sb\n0.866214 0.866212 0.732429 Sb\n",
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{
"id": "jvasp-79793",
"created_at": "2022-09-04T14:36:47.540108Z",
"updated_at": "2022-09-04T14:36:47.540129Z",
"structure_string": "Zn2 Te2\n1.0\n4.319988 -0.160888 -0.000000\n-0.609441 4.279808 -0.000000\n-0.000000 -0.000000 5.498751\nZn Te\n2 2\ndirect\n0.639284 0.360716 0.750000 Zn\n0.360717 0.639284 0.250000 Zn\n0.228455 0.771546 0.750000 Te\n0.771546 0.228454 0.250000 Te\n",
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{
"id": "jvasp-109284",
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"updated_at": "2022-09-04T14:37:56.328399Z",
"structure_string": "La1 Pm1 Zn2\n1.0\n4.528925 -0.000000 2.614776\n1.509642 4.269911 2.614776\n-0.000000 -0.000000 5.229552\nLa Pm Zn\n1 1 2\ndirect\n0.499999 0.500000 0.500001 La\n0.000000 0.000000 0.000000 Pm\n0.749999 0.750000 0.750002 Zn\n0.250000 0.250000 0.250001 Zn\n",
"nsites": 4,
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"elements": [
"La",
"Pm",
"Zn"
],
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"density_atomic": 0.039553193503280175,
"volume": 101.12963444198955,
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"formula_full": "La1 Pm1 Zn2",
"formula_reduced": "LaPmZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-108642",
"created_at": "2022-09-04T14:38:27.924793Z",
"updated_at": "2022-09-04T14:38:27.924821Z",
"structure_string": "La1 Ce1 Zn2\n1.0\n4.528934 -0.000000 2.614782\n1.509645 4.269920 2.614782\n-0.000000 -0.000000 5.229563\nLa Ce Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.499999 0.500000 0.500000 Ce\n0.249999 0.250000 0.250000 Zn\n0.749998 0.750000 0.750000 Zn\n",
"nsites": 4,
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"elements": [
"La",
"Ce",
"Zn"
],
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"density": 6.729483759863532,
"density_atomic": 0.03955294833661298,
"volume": 101.13026128819125,
"volume_molar": 15.225516714326666,
"formula_full": "La1 Ce1 Zn2",
"formula_reduced": "LaCeZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1472453250000001,
"spacegroup": 225
},
{
"id": "jvasp-16691",
"created_at": "2022-09-04T14:38:30.839540Z",
"updated_at": "2022-09-04T14:38:30.839568Z",
"structure_string": "Y3 Mg3 Tl3\n1.0\n3.771101 -6.531737 -0.000000\n3.771101 6.531737 -0.000000\n0.000000 -0.000000 4.619017\nY Mg Tl\n3 3 3\ndirect\n0.572239 0.572239 0.000000 Y\n-0.000000 0.427761 0.000000 Y\n0.427761 -0.000000 0.000000 Y\n0.755949 -0.000000 0.500000 Mg\n0.244051 0.244051 0.500000 Mg\n-0.000000 0.755949 0.500000 Mg\n0.666667 0.333333 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.333333 0.666667 0.500000 Tl\n",
"nsites": 9,
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"elements": [
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"Mg",
"Tl"
],
"chemical_system": "Mg-Tl-Y",
"density": 6.952907256166485,
"density_atomic": 0.03955178601589148,
"volume": 227.5497747784107,
"volume_molar": 15.225964151354301,
"formula_full": "Y3 Mg3 Tl3",
"formula_reduced": "YMgTl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2936723666666666,
"spacegroup": 189
},
{
"id": "jvasp-28965",
"created_at": "2022-09-04T14:36:00.092908Z",
"updated_at": "2022-09-04T14:36:00.092925Z",
"structure_string": "Mo1 W3 Se2 S6\n1.0\n3.223700 0.000001 0.000070\n-1.611850 2.791821 -0.000082\n0.000739 -0.000577 33.711179\nMo W Se S\n1 3 2 6\ndirect\n0.666680 0.333469 0.281489 Mo\n0.333404 0.666598 0.089748 W\n0.333206 0.666426 0.473270 W\n0.666713 0.333511 0.658410 W\n0.333332 0.666822 0.332230 Se\n0.333353 0.666770 0.230747 Se\n0.333371 0.666870 0.704794 S\n0.666744 0.333233 0.043367 S\n0.666548 0.333069 0.426841 S\n0.666726 0.333288 0.136179 S\n0.666527 0.333110 0.519681 S\n0.333392 0.666826 0.611993 S\n",
"nsites": 12,
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"elements": [
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"Se",
"S"
],
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"density": 5.460888777900931,
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"volume": 303.40044118575514,
"volume_molar": 15.226001362222656,
"formula_full": "Mo1 W3 Se2 S6",
"formula_reduced": "MoW3(SeS3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 4.397809386111111,
"spacegroup": 156
},
{
"id": "jvasp-602",
"created_at": "2022-09-04T14:37:38.167805Z",
"updated_at": "2022-09-04T14:37:38.167831Z",
"structure_string": "Te2 Ir1\n1.0\n1.990199 -3.447126 0.000000\n1.990199 3.447126 0.000000\n0.000000 0.000000 5.528225\nTe Ir\n2 1\ndirect\n0.333333 0.666667 0.251529 Te\n0.666667 0.333333 0.748470 Te\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 3,
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"elements": [
"Te",
"Ir"
],
"chemical_system": "Ir-Te",
"density": 9.794724182724776,
"density_atomic": 0.03955049165820381,
"volume": 75.85240724504928,
"volume_molar": 15.226462447151018,
"formula_full": "Te2 Ir1",
"formula_reduced": "Te2Ir",
"formula_anonymous": "AB2",
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"spacegroup": 164
},
{
"id": "jvasp-20653",
"created_at": "2022-09-04T14:38:08.730834Z",
"updated_at": "2022-09-04T14:38:08.730866Z",
"structure_string": "Te2 Ir1\n1.0\n1.990199 -3.447126 0.000000\n1.990199 3.447126 -0.000000\n-0.000000 -0.000000 5.528225\nTe Ir\n2 1\ndirect\n0.333333 0.666667 0.251529 Te\n0.666667 0.333333 0.748470 Te\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 3,
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"elements": [
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"density": 9.794724182724776,
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"volume": 75.85240724504928,
"volume_molar": 15.226462447151018,
"formula_full": "Te2 Ir1",
"formula_reduced": "Te2Ir",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8259888777777773,
"spacegroup": 164
},
{
"id": "jvasp-35071",
"created_at": "2022-09-04T14:37:40.591058Z",
"updated_at": "2022-09-04T14:37:40.591079Z",
"structure_string": "Sm2 Pb2 Au2\n1.0\n2.456766 -4.255244 -0.000000\n2.456766 4.255244 -0.000000\n-0.000000 0.000000 7.255743\nSm Pb Au\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Sm\n0.000000 0.000000 0.000000 Sm\n0.333334 0.666668 0.250000 Pb\n0.666668 0.333334 0.750000 Pb\n0.333334 0.666668 0.750000 Au\n0.666668 0.333334 0.250000 Au\n",
"nsites": 6,
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"elements": [
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"Pb",
"Au"
],
"chemical_system": "Au-Pb-Sm",
"density": 12.13951410629212,
"density_atomic": 0.03955042020612031,
"volume": 151.7050885611455,
"volume_molar": 15.2264899553914,
"formula_full": "Sm2 Pb2 Au2",
"formula_reduced": "SmPbAu",
"formula_anonymous": "ABC",
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"spacegroup": 194
},
{
"id": "jvasp-112652",
"created_at": "2022-09-04T14:38:41.627110Z",
"updated_at": "2022-09-04T14:38:41.627134Z",
"structure_string": "Rb3 Ag9 Sb4 S12\n1.0\n9.063967 0.056396 -3.559665\n-4.193051 8.035982 -3.559665\n-0.033946 -0.056396 9.737842\nRb Ag Sb S\n3 9 4 12\ndirect\n0.000000 0.000000 0.000000 Rb\n0.673309 0.673309 -0.000001 Rb\n0.326692 0.326691 -0.000000 Rb\n0.250000 0.750000 0.499999 Ag\n0.356115 0.500596 0.513327 Ag\n0.987269 0.842787 0.486671 Ag\n0.512726 0.004725 0.172661 Ag\n0.832063 0.340064 0.827338 Ag\n0.659935 0.487274 0.491998 Ag\n0.995275 0.167937 0.508000 Ag\n0.499403 0.012731 0.855518 Ag\n0.157213 0.643884 0.144481 Ag\n0.400104 0.134956 0.512251 Sb\n0.622705 0.887852 0.487748 Sb\n0.865045 0.377295 0.265148 Sb\n0.112147 0.599895 0.734851 Sb\n0.197079 0.883636 0.773066 S\n0.110569 0.424013 0.226933 S\n0.910521 0.116392 0.706031 S\n0.410360 0.204490 0.293968 S\n0.795510 0.089479 0.205871 S\n0.883608 0.589639 0.794128 S\n0.116364 0.889430 0.313443 S\n0.575986 0.802920 0.686555 S\n0.338308 0.687273 0.020964 S\n0.666309 0.317342 0.979035 S\n0.682657 0.661692 0.348966 S\n0.312726 0.333691 0.651033 S\n",
"nsites": 28,
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"elements": [
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"S"
],
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"density": 4.923341749628969,
"density_atomic": 0.03955020887722712,
"volume": 707.9608627837692,
"volume_molar": 15.226571315196084,
"formula_full": "Rb3 Ag9 Sb4 S12",
"formula_reduced": "Rb3Ag9(SbS3)4",
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},
{
"id": "jvasp-9175",
"created_at": "2022-09-04T14:37:09.808279Z",
"updated_at": "2022-09-04T14:37:09.808297Z",
"structure_string": "Zn8 Sb8\n1.0\n6.322838 0.000000 0.000000\n0.000000 7.807475 0.000000\n0.000000 0.000000 8.195327\nZn Sb\n8 8\ndirect\n0.456157 0.107910 0.872744 Zn\n0.956157 0.392090 0.127257 Zn\n0.543843 0.607911 0.627257 Zn\n0.043843 0.892090 0.372744 Zn\n0.543843 0.892090 0.127257 Zn\n0.043843 0.607911 0.872744 Zn\n0.456157 0.392090 0.372744 Zn\n0.956157 0.107910 0.627257 Zn\n0.141801 0.083505 0.109522 Sb\n0.641801 0.416495 0.890479 Sb\n0.858199 0.583506 0.390479 Sb\n0.358199 0.916495 0.609522 Sb\n0.858199 0.916495 0.890479 Sb\n0.358199 0.583506 0.109522 Sb\n0.141801 0.416495 0.609522 Sb\n0.641801 0.083505 0.390479 Sb\n",
"nsites": 16,
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"elements": [
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"density": 6.145879777308569,
"density_atomic": 0.03954859311721491,
"volume": 404.5655923228136,
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"formula_full": "Zn8 Sb8",
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{
"id": "jvasp-3972",
"created_at": "2022-09-04T14:36:53.319544Z",
"updated_at": "2022-09-04T14:36:53.319563Z",
"structure_string": "Pd1 S2 Cl6\n1.0\n4.393363 -0.102256 -0.072886\n-0.370506 6.624165 -0.030336\n-1.074835 -2.029181 7.858940\nPd S Cl\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Pd\n0.316610 0.245978 0.218698 S\n0.683389 0.754021 0.781301 S\n0.735836 0.804610 0.550267 Cl\n0.313791 0.140285 0.837927 Cl\n0.686208 0.859714 0.162072 Cl\n0.084297 0.504336 0.220308 Cl\n0.915703 0.495663 0.779691 Cl\n0.264164 0.195389 0.449732 Cl\n",
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],
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"volume": 227.56845003053587,
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"formula_full": "Pd1 S2 Cl6",
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"formula_anonymous": "AB2C6",
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}
]
}