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{
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"results": [
{
"id": "jvasp-94357",
"created_at": "2022-09-04T14:35:56.757601Z",
"updated_at": "2022-09-04T14:35:56.757627Z",
"structure_string": "Mg2 Sn4\n1.0\n3.385193 -0.000000 0.000000\n-1.692596 2.931663 -0.000000\n-0.000000 -0.000000 15.773928\nMg Sn\n2 4\ndirect\n0.333332 0.666666 0.750000 Mg\n0.666666 0.333333 0.250000 Mg\n0.666666 0.333333 0.907229 Sn\n0.666666 0.333333 0.592772 Sn\n0.333332 0.666666 0.407228 Sn\n0.333332 0.666666 0.092772 Sn\n",
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{
"id": "jvasp-112992",
"created_at": "2022-09-04T14:38:44.704981Z",
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"structure_string": "La4 Co2 Sn5\n1.0\n6.077268 0.008228 4.411073\n4.318125 4.276336 4.411073\n0.020306 0.008369 11.075118\nLa Co Sn\n4 2 5\ndirect\n0.937795 0.937798 0.720670 La\n0.062204 0.062204 0.279329 La\n0.332691 0.332692 0.282504 La\n0.667308 0.667310 0.717495 La\n0.773420 0.773422 0.140219 Co\n0.226579 0.226579 0.859780 Co\n0.653779 0.653781 0.023463 Sn\n0.346220 0.346221 0.976536 Sn\n0.627275 0.627276 0.443251 Sn\n0.372725 0.372725 0.556749 Sn\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 11,
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"Co",
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"formula_full": "La4 Co2 Sn5",
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{
"id": "jvasp-102202",
"created_at": "2022-09-04T14:36:32.864488Z",
"updated_at": "2022-09-04T14:36:32.864504Z",
"structure_string": "La1 Mn1 In1\n1.0\n4.813341 -0.000000 0.000000\n-2.406671 4.168475 -0.000000\n-0.000000 -0.000000 3.900866\nLa Mn In\n1 1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.666667 0.333333 0.500001 Mn\n0.333333 0.666666 0.500001 In\n",
"nsites": 3,
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"elements": [
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"In"
],
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"density": 6.548573669101884,
"density_atomic": 0.03832978571318449,
"volume": 78.26811301394974,
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"formula_full": "La1 Mn1 In1",
"formula_reduced": "LaMnIn",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-86153",
"created_at": "2022-09-04T14:35:44.521860Z",
"updated_at": "2022-09-04T14:35:44.521874Z",
"structure_string": "Bi4 Pd2\n1.0\n4.092830 0.000001 -1.365429\n-0.400926 5.609846 -1.201930\n0.001147 -0.015674 6.820889\nBi Pd\n4 2\ndirect\n0.843376 0.684694 0.686744 Bi\n0.156624 0.315307 0.313257 Bi\n0.427170 0.207400 0.854350 Bi\n0.572830 0.792601 0.145650 Bi\n0.776081 0.170549 0.552173 Pd\n0.223919 0.829452 0.447827 Pd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Bi",
"Pd"
],
"chemical_system": "Bi-Pd",
"density": 11.125602629910246,
"density_atomic": 0.038330891463016624,
"volume": 156.5317103514034,
"volume_molar": 15.710933218995006,
"formula_full": "Bi4 Pd2",
"formula_reduced": "Bi2Pd",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9523281,
"spacegroup": 12
},
{
"id": "jvasp-86755",
"created_at": "2022-09-04T14:35:45.721847Z",
"updated_at": "2022-09-04T14:35:45.721880Z",
"structure_string": "Bi4 Pd2\n1.0\n4.092830 0.000001 -1.365429\n-0.400926 5.609846 -1.201930\n0.001147 -0.015674 6.820889\nBi Pd\n4 2\ndirect\n0.843376 0.684694 0.686744 Bi\n0.156624 0.315307 0.313257 Bi\n0.427170 0.207400 0.854350 Bi\n0.572830 0.792601 0.145650 Bi\n0.776081 0.170549 0.552173 Pd\n0.223919 0.829452 0.447827 Pd\n",
"nsites": 6,
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"elements": [
"Bi",
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],
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"density": 11.125602629910246,
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"volume": 156.5317103514034,
"volume_molar": 15.710933218995006,
"formula_full": "Bi4 Pd2",
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"spacegroup": 12
},
{
"id": "jvasp-68967",
"created_at": "2022-09-04T14:35:48.799858Z",
"updated_at": "2022-09-04T14:35:48.799876Z",
"structure_string": "Ba1 Si1 Cl2\n1.0\n4.946394 0.000000 -0.000000\n0.000000 4.946394 -0.000000\n0.000000 0.000000 4.264939\nBa Si Cl\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Si\n0.500000 0.000000 0.000000 Cl\n0.000000 0.500000 0.000000 Cl\n",
"nsites": 4,
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"elements": [
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"Cl"
],
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"density": 3.760595148717182,
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"volume": 104.34946754217174,
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"formula_full": "Ba1 Si1 Cl2",
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"spacegroup": 123
},
{
"id": "jvasp-3729",
"created_at": "2022-09-04T14:35:53.525277Z",
"updated_at": "2022-09-04T14:35:53.525312Z",
"structure_string": "Sr2 H2 I2\n1.0\n4.303371 0.000000 0.000000\n0.000000 4.303371 0.000000\n0.000000 0.000000 8.451187\nSr H I\n2 2 2\ndirect\n0.000000 0.500000 0.155688 Sr\n0.500000 0.000000 0.844313 Sr\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.500000 0.667063 I\n0.500000 0.000000 0.332938 I\n",
"nsites": 6,
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"elements": [
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"H",
"I"
],
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"density": 4.573581146915492,
"density_atomic": 0.03833680900268157,
"volume": 156.5075486480973,
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"formula_full": "Sr2 H2 I2",
"formula_reduced": "SrHI",
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"spacegroup": 129
},
{
"id": "jvasp-102432",
"created_at": "2022-09-04T14:36:52.145107Z",
"updated_at": "2022-09-04T14:36:52.145125Z",
"structure_string": "K4 Zn2 S4\n1.0\n6.053201 0.008312 -4.881208\n-1.153227 5.567025 -5.305263\n-0.035267 -0.008312 7.776001\nK Zn S\n4 2 4\ndirect\n0.812172 0.645747 0.166425 K\n0.187826 0.354252 0.833574 K\n0.479321 0.145747 0.333574 K\n0.520677 0.854252 0.666425 K\n-0.000001 0.750000 0.749999 Zn\n-0.000000 0.250000 0.250000 Zn\n0.704721 0.396261 0.308460 S\n0.295277 0.603738 0.691539 S\n0.087800 0.896261 0.191539 S\n0.912199 0.103739 0.808460 S\n",
"nsites": 10,
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"elements": [
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"Zn",
"S"
],
"chemical_system": "K-S-Zn",
"density": 2.6449175753006653,
"density_atomic": 0.038337352727608805,
"volume": 260.842214929422,
"volume_molar": 15.708285344551529,
"formula_full": "K4 Zn2 S4",
"formula_reduced": "K2ZnS2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 72
},
{
"id": "jvasp-105902",
"created_at": "2022-09-04T14:35:58.341191Z",
"updated_at": "2022-09-04T14:35:58.341218Z",
"structure_string": "Pr4 In2 Au4\n1.0\n8.151768 0.000000 0.000000\n0.000000 8.151768 0.000000\n0.000000 0.000000 3.925306\nPr In Au\n4 2 4\ndirect\n0.672857 0.172857 0.500000 Pr\n0.327143 0.827143 0.500000 Pr\n0.172857 0.327143 0.500000 Pr\n0.827143 0.672857 0.500000 Pr\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.126834 0.626834 0.000000 Au\n0.873167 0.373166 0.000000 Au\n0.626834 0.873167 0.000000 Au\n0.373166 0.126834 0.000000 Au\n",
"nsites": 10,
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"elements": [
"Pr",
"In",
"Au"
],
"chemical_system": "Au-In-Pr",
"density": 10.065615254333759,
"density_atomic": 0.038337417960657774,
"volume": 260.84177109324617,
"volume_molar": 15.708258616112275,
"formula_full": "Pr4 In2 Au4",
"formula_reduced": "Pr2InAu2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.6364069620000001,
"spacegroup": 127
},
{
"id": "jvasp-121053",
"created_at": "2022-09-04T14:38:51.960206Z",
"updated_at": "2022-09-04T14:38:51.960235Z",
"structure_string": "Ga1 P1 S4\n1.0\n-2.434282 2.434282 6.602391\n2.434282 -2.434282 6.602391\n2.434282 2.434282 -6.602391\nGa P S\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ga\n0.250000 0.750000 0.500000 P\n0.854003 0.139579 0.714424 S\n0.425155 0.139579 0.285576 S\n0.860421 0.574845 0.714424 S\n0.860421 0.145997 0.285576 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ga",
"P",
"S"
],
"chemical_system": "Ga-P-S",
"density": 2.429403008723607,
"density_atomic": 0.038339658785942185,
"volume": 156.49591545660783,
"volume_molar": 15.707340520745866,
"formula_full": "Ga1 P1 S4",
"formula_reduced": "GaPS4",
"formula_anonymous": "ABC4",
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},
{
"id": "jvasp-29404",
"created_at": "2022-09-04T14:37:59.073569Z",
"updated_at": "2022-09-04T14:37:59.073588Z",
"structure_string": "Hg12 Sb4 As4 S12\n1.0\n4.436076 0.000000 0.000000\n0.000000 11.767501 -0.378967\n0.000000 0.001477 15.988525\nHg Sb As S\n12 4 4 12\ndirect\n0.265896 0.629885 0.574056 Hg\n0.137519 0.118580 0.818712 Hg\n0.362481 0.618580 0.318712 Hg\n0.217806 0.108990 0.312816 Hg\n0.765896 0.870115 0.925944 Hg\n0.782195 0.891010 0.687184 Hg\n0.637520 0.381420 0.681288 Hg\n0.234105 0.129885 0.074056 Hg\n0.734105 0.370115 0.425944 Hg\n0.862482 0.881420 0.181288 Hg\n0.282194 0.608990 0.812816 Hg\n0.717806 0.391010 0.187184 Hg\n0.693055 0.357502 0.948698 Sb\n0.806946 0.857502 0.448698 Sb\n0.306946 0.642498 0.051302 Sb\n0.193055 0.142499 0.551302 Sb\n0.648355 0.597974 0.691212 As\n0.851647 0.097974 0.191212 As\n0.351646 0.402026 0.308788 As\n0.148354 0.902026 0.808788 As\n0.063899 0.327303 0.832559 S\n0.926366 0.617568 0.930229 S\n0.073635 0.382433 0.069771 S\n0.936102 0.672697 0.167441 S\n0.426366 0.882433 0.569772 S\n0.879818 0.645935 0.463680 S\n0.436102 0.827303 0.332559 S\n0.573635 0.117568 0.430229 S\n0.379817 0.854065 0.036320 S\n0.563899 0.172697 0.667442 S\n0.120183 0.354065 0.536320 S\n0.620184 0.145935 0.963680 S\n",
"nsites": 32,
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"elements": [
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],
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"density": 7.119798297603864,
"density_atomic": 0.03834043748295339,
"volume": 834.6279307383379,
"volume_molar": 15.707021503543128,
"formula_full": "Hg12 Sb4 As4 S12",
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"formula_anonymous": "ABC3D3",
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"spacegroup": 14
},
{
"id": "jvasp-98491",
"created_at": "2022-09-04T14:36:20.774214Z",
"updated_at": "2022-09-04T14:36:20.774229Z",
"structure_string": "Sn2 P2 Cl18\n1.0\n6.923251 -0.019140 -0.693271\n-1.082173 8.753604 -1.580833\n-0.008309 0.058880 9.460873\nSn P Cl\n2 2 18\ndirect\n0.381455 0.361956 0.316148 Sn\n0.618545 0.638044 0.683852 Sn\n0.047832 0.186409 0.777030 P\n0.952168 0.813591 0.222970 P\n0.625237 0.411451 0.792549 Cl\n0.158946 0.904945 0.125007 Cl\n0.841054 0.095055 0.874993 Cl\n0.741570 0.944193 0.232288 Cl\n0.258430 0.055807 0.767712 Cl\n0.059497 0.800784 0.419741 Cl\n0.940503 0.199215 0.580259 Cl\n0.150911 0.389334 0.886646 Cl\n0.849089 0.610666 0.113354 Cl\n0.724186 0.483006 0.446780 Cl\n0.483763 0.774621 0.889111 Cl\n0.516237 0.225378 0.110889 Cl\n0.960836 0.718141 0.763642 Cl\n0.039164 0.281858 0.236358 Cl\n0.583522 0.847398 0.555124 Cl\n0.416478 0.152602 0.444876 Cl\n0.374763 0.588549 0.207451 Cl\n0.275814 0.516994 0.553220 Cl\n",
"nsites": 22,
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"elements": [
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"Cl"
],
"chemical_system": "Cl-P-Sn",
"density": 2.713110808034437,
"density_atomic": 0.038340684982540715,
"volume": 573.8029983037129,
"volume_molar": 15.706920110431822,
"formula_full": "Sn2 P2 Cl18",
"formula_reduced": "SnPCl9",
"formula_anonymous": "ABC9",
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"spacegroup": 2
}
]
}