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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1551",
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"results": [
{
"id": "jvasp-87895",
"created_at": "2022-09-04T14:35:51.830830Z",
"updated_at": "2022-09-04T14:35:51.830848Z",
"structure_string": "Rb12 Ge4 O14\n1.0\n6.835628 0.000000 -0.190718\n0.000000 9.497644 0.000000\n-0.009463 0.000000 9.507740\nRb Ge O\n12 4 14\ndirect\n0.381540 0.285750 0.780718 Rb\n0.246141 0.524438 0.451245 Rb\n0.746141 0.975561 0.951245 Rb\n0.753860 0.475561 0.548755 Rb\n0.384064 0.147362 0.418654 Rb\n0.115936 0.647362 0.081347 Rb\n0.615936 0.852637 0.581346 Rb\n0.884065 0.352638 0.918653 Rb\n0.881540 0.214250 0.280718 Rb\n0.618460 0.714250 0.219282 Rb\n0.118461 0.785749 0.719282 Rb\n0.253860 0.024439 0.048755 Rb\n0.047995 0.861293 0.368870 Ge\n0.547995 0.638706 0.868870 Ge\n0.952006 0.138707 0.631130 Ge\n0.452006 0.361293 0.131130 Ge\n0.944119 0.916548 0.204852 O\n0.555882 0.416549 0.295148 O\n0.693015 0.159348 0.634748 O\n0.806987 0.659348 0.865251 O\n0.306986 0.840652 0.365251 O\n0.193014 0.340652 0.134749 O\n0.573898 0.210547 0.065608 O\n0.926103 0.710546 0.434392 O\n0.426103 0.789453 0.934392 O\n0.055882 0.083451 0.795148 O\n0.500000 0.500000 -0.000000 O\n0.000000 0.000000 0.500000 O\n0.444119 0.583451 0.704852 O\n0.073898 0.289453 0.565608 O\n",
"nsites": 30,
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"formula_full": "Rb12 Ge4 O14",
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{
"id": "jvasp-54983",
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"updated_at": "2022-09-04T14:38:33.363924Z",
"structure_string": "Rb1 Ge1 I3\n1.0\n5.899458 -0.000000 -0.000000\n-0.000000 5.899458 -0.000000\n0.000000 0.000000 5.899458\nRb Ge I\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ge\n0.500000 0.000000 0.000000 I\n0.000000 0.000000 0.500000 I\n0.000000 0.500000 0.000000 I\n",
"nsites": 5,
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],
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"density": 4.357701113366771,
"density_atomic": 0.024351945521755094,
"volume": 205.3224041394636,
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"formula_full": "Rb1 Ge1 I3",
"formula_reduced": "RbGeI3",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-22360",
"created_at": "2022-09-04T14:37:38.856893Z",
"updated_at": "2022-09-04T14:37:38.856908Z",
"structure_string": "Rb2 Ge1 F6\n1.0\n5.194025 0.000000 2.998772\n1.731341 4.896974 2.998772\n0.000000 -0.000000 5.997544\nRb Ge F\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.749999 0.750000 Rb\n0.000000 0.000000 0.000000 Ge\n0.216686 0.783314 0.783314 F\n0.216686 0.783314 0.216686 F\n0.783314 0.216686 0.783314 F\n0.783314 0.216686 0.216686 F\n0.783314 0.783314 0.216686 F\n0.216686 0.216686 0.783314 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
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"Ge",
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],
"chemical_system": "F-Ge-Rb",
"density": 3.892244022493103,
"density_atomic": 0.05899799229422995,
"volume": 152.54756390888588,
"volume_molar": 10.207365582826741,
"formula_full": "Rb2 Ge1 F6",
"formula_reduced": "Rb2GeF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0010388888888888,
"spacegroup": 225
},
{
"id": "jvasp-22718",
"created_at": "2022-09-04T14:36:38.803118Z",
"updated_at": "2022-09-04T14:36:38.803140Z",
"structure_string": "Rb2 Ge1 F6\n1.0\n5.854896 0.000000 0.000000\n-2.927448 5.070489 -0.000000\n0.000000 -0.000000 4.761938\nRb Ge F\n2 1 6\ndirect\n0.333333 0.666667 0.699576 Rb\n0.666667 0.333333 0.300425 Rb\n0.000000 0.000000 0.000000 Ge\n0.849666 0.150335 0.783496 F\n0.849666 0.699330 0.783496 F\n0.300671 0.150335 0.783496 F\n0.150335 0.849665 0.216504 F\n0.150335 0.300670 0.216504 F\n0.699330 0.849665 0.216504 F\n",
"nsites": 9,
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"elements": [
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],
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"density": 4.200031719619488,
"density_atomic": 0.06366338739237437,
"volume": 141.36853800333634,
"volume_molar": 9.459347054350008,
"formula_full": "Rb2 Ge1 F6",
"formula_reduced": "Rb2GeF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-112901",
"created_at": "2022-09-04T14:38:45.363470Z",
"updated_at": "2022-09-04T14:38:45.363500Z",
"structure_string": "Rb4 Ge4 Cl12\n1.0\n7.166605 -0.000000 0.000000\n0.000000 7.766774 0.000000\n-0.000000 -0.000000 10.670260\nRb Ge Cl\n4 4 12\ndirect\n0.971087 0.422123 0.750917 Rb\n0.471087 0.077877 0.250917 Rb\n0.528914 0.922123 0.750917 Rb\n0.028914 0.577876 0.250917 Rb\n0.486984 0.476025 0.515699 Ge\n0.513017 0.523974 0.015699 Ge\n0.013016 0.976025 0.515699 Ge\n0.986984 0.023974 0.015699 Ge\n0.574446 0.499256 0.239752 Cl\n0.925555 -0.000744 0.239752 Cl\n0.700971 0.181239 0.968036 Cl\n0.425555 0.500743 0.739752 Cl\n0.799030 0.681238 0.968036 Cl\n0.172109 0.287781 0.040794 Cl\n0.299029 0.818761 0.468036 Cl\n0.827892 0.712218 0.540794 Cl\n0.074445 0.000744 0.739752 Cl\n0.327892 0.787781 0.040794 Cl\n0.200971 0.318761 0.468036 Cl\n0.672109 0.212219 0.540794 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"Ge",
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],
"chemical_system": "Cl-Ge-Rb",
"density": 2.9576794980702656,
"density_atomic": 0.03367447684643324,
"volume": 593.9216247131802,
"volume_molar": 17.88339812215333,
"formula_full": "Rb4 Ge4 Cl12",
"formula_reduced": "RbGeCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 33
},
{
"id": "jvasp-12752",
"created_at": "2022-09-04T14:38:14.187004Z",
"updated_at": "2022-09-04T14:38:14.187026Z",
"structure_string": "Rb2 Ge2 Cl6\n1.0\n0.000000 5.774635 -0.098676\n6.983369 0.000000 0.000000\n0.000000 -2.332159 -7.446950\nRb Ge Cl\n2 2 6\ndirect\n0.673992 0.750000 0.296338 Rb\n0.326007 0.250000 0.703662 Rb\n0.935553 0.750000 0.884930 Ge\n0.064447 0.250000 0.115071 Ge\n0.340539 0.750000 0.868768 Cl\n0.659461 0.250000 0.131233 Cl\n0.186447 0.499913 0.323502 Cl\n0.813552 -0.000087 0.676498 Cl\n0.186447 0.000087 0.323502 Cl\n0.813552 0.500087 0.676498 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
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],
"chemical_system": "Cl-Ge-Rb",
"density": 2.9091385327435577,
"density_atomic": 0.033121816690366894,
"volume": 301.91580653570816,
"volume_molar": 18.181794846269625,
"formula_full": "Rb2 Ge2 Cl6",
"formula_reduced": "RbGeCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.003892,
"spacegroup": 11
},
{
"id": "jvasp-13404",
"created_at": "2022-09-04T14:37:17.962669Z",
"updated_at": "2022-09-04T14:37:17.962682Z",
"structure_string": "Rb4 Ge4 Br12\n1.0\n7.477955 0.000000 0.000000\n0.000000 8.107486 0.000000\n0.000000 0.000000 11.137467\nRb Ge Br\n4 4 12\ndirect\n0.966457 0.416316 0.749615 Rb\n0.466458 0.083684 0.249615 Rb\n0.533542 0.916316 0.749615 Rb\n0.033542 0.583685 0.249615 Rb\n0.484805 0.472262 0.516586 Ge\n0.515195 0.527739 0.016586 Ge\n0.015195 0.972262 0.516586 Ge\n0.984804 0.027739 0.016586 Ge\n0.578358 0.502374 0.245567 Br\n0.921641 0.002373 0.245567 Br\n0.692150 0.186928 0.964840 Br\n0.421642 0.497627 0.745567 Br\n0.807849 0.686928 0.964840 Br\n0.178037 0.296277 0.038592 Br\n0.307849 0.813073 0.464840 Br\n0.821963 0.703723 0.538592 Br\n0.078358 -0.002373 0.745567 Br\n0.321963 0.796278 0.038592 Br\n0.192151 0.313073 0.464840 Br\n0.678036 0.203723 0.538592 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"Ge",
"Br"
],
"chemical_system": "Br-Ge-Rb",
"density": 3.9132716666377974,
"density_atomic": 0.029619280911554198,
"volume": 675.2358391049997,
"volume_molar": 20.331826346435108,
"formula_full": "Rb4 Ge4 Br12",
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"spacegroup": 33
},
{
"id": "jvasp-11460",
"created_at": "2022-09-04T14:37:28.706931Z",
"updated_at": "2022-09-04T14:37:28.706954Z",
"structure_string": "Rb6 Ge8 Au2\n1.0\n6.200224 0.000000 0.000000\n0.000000 6.890748 0.000000\n0.000000 0.000000 12.379990\nRb Ge Au\n6 8 2\ndirect\n0.426544 0.500000 0.000000 Rb\n0.573455 0.000000 0.500000 Rb\n0.167847 0.000000 0.265089 Rb\n0.167847 0.000000 0.734911 Rb\n0.832153 0.500000 0.234911 Rb\n0.832153 0.500000 0.765089 Rb\n0.327024 0.500000 0.613635 Ge\n0.327024 0.500000 0.386365 Ge\n0.057956 0.298800 0.500000 Ge\n0.057956 0.701200 0.500000 Ge\n0.942044 0.798800 0.000000 Ge\n0.942044 0.201200 0.000000 Ge\n0.672976 0.000000 0.886365 Ge\n0.672976 0.000000 0.113635 Ge\n0.689358 0.500000 0.500000 Au\n0.310641 0.000000 0.000000 Au\n",
"nsites": 16,
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"elements": [
"Rb",
"Ge",
"Au"
],
"chemical_system": "Au-Ge-Rb",
"density": 4.6710778574472345,
"density_atomic": 0.030250039160003298,
"volume": 528.9249351172825,
"volume_molar": 19.90787756718839,
"formula_full": "Rb6 Ge8 Au2",
"formula_reduced": "Rb3Ge4Au",
"formula_anonymous": "AB3C4",
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"spacegroup": 59
},
{
"id": "jvasp-104540",
"created_at": "2022-09-04T14:36:47.526725Z",
"updated_at": "2022-09-04T14:36:47.526734Z",
"structure_string": "Rb3 Gd1 Cl6\n1.0\n6.950332 -0.000000 4.012776\n2.316777 6.552836 4.012776\n-0.000000 -0.000000 8.025552\nRb Gd Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Gd\n0.766865 0.233135 0.233135 Cl\n0.233135 0.233135 0.766865 Cl\n0.233135 0.766866 0.766865 Cl\n0.233135 0.766866 0.233135 Cl\n0.766865 0.233135 0.766866 Cl\n0.766865 0.766866 0.233135 Cl\n",
"nsites": 10,
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"elements": [
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],
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"density": 2.845582982985191,
"density_atomic": 0.02735837120551723,
"volume": 365.51883607688416,
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"formula_full": "Rb3 Gd1 Cl6",
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"formula_anonymous": "AB3C6",
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},
{
"id": "jvasp-12853",
"created_at": "2022-09-04T14:38:07.578166Z",
"updated_at": "2022-09-04T14:38:07.578191Z",
"structure_string": "Rb4 Ga12 S20\n1.0\n7.185208 0.027608 0.000000\n-2.152187 9.884328 0.000000\n0.000000 0.000000 12.743839\nRb Ga S\n4 12 20\ndirect\n0.161608 0.408120 0.608301 Rb\n0.838392 0.091880 0.108301 Rb\n0.838392 0.591880 0.391699 Rb\n0.161608 0.908120 0.891699 Rb\n0.714633 0.376228 0.833218 Ga\n0.285367 0.623773 0.166783 Ga\n0.557575 0.701559 0.899228 Ga\n0.796765 0.600364 0.084046 Ga\n0.557576 0.201559 0.600772 Ga\n0.714633 0.876228 0.666783 Ga\n0.442425 0.298442 0.100772 Ga\n0.442424 0.798442 0.399228 Ga\n0.796765 0.100364 0.415954 Ga\n0.203235 0.899636 0.584046 Ga\n0.203235 0.399636 0.915954 Ga\n0.285367 0.123773 0.333218 Ga\n0.058066 0.247248 0.358678 S\n0.345163 0.585353 0.338939 S\n0.654837 0.914647 0.838939 S\n0.058066 0.747248 0.141322 S\n0.941934 0.252752 0.858678 S\n0.435988 0.262728 0.916854 S\n0.564012 0.737272 0.083146 S\n0.719453 0.403817 0.170771 S\n0.941934 0.752752 0.641322 S\n0.185779 0.406677 0.099980 S\n0.814221 0.093323 0.599980 S\n0.435988 0.762728 0.583146 S\n0.654837 0.414647 0.661061 S\n0.719453 0.903818 0.329229 S\n0.185779 0.906677 0.400020 S\n0.280547 0.096183 0.670771 S\n0.564012 0.237272 0.416854 S\n0.280547 0.596183 0.829229 S\n0.814221 0.593323 0.900020 S\n0.345163 0.085353 0.161061 S\n",
"nsites": 36,
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],
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"volume": 905.8367938754345,
"volume_molar": 15.15299077306937,
"formula_full": "Rb4 Ga12 S20",
"formula_reduced": "RbGa3S5",
"formula_anonymous": "AB3C5",
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"spacegroup": 14
},
{
"id": "jvasp-11142",
"created_at": "2022-09-04T14:36:53.367898Z",
"updated_at": "2022-09-04T14:36:53.367919Z",
"structure_string": "Rb6 Ga2 O6\n1.0\n6.742517 -0.007491 -0.864126\n-1.231582 6.116525 -2.794763\n-0.003986 0.033820 6.836535\nRb Ga O\n6 2 6\ndirect\n0.654604 0.371920 0.371920 Rb\n0.345396 0.628079 0.628080 Rb\n0.500000 0.191465 0.808535 Rb\n0.500000 0.808534 0.191465 Rb\n-0.000000 0.263165 0.736835 Rb\n-0.000000 0.736834 0.263166 Rb\n0.851786 0.833442 0.833443 Ga\n0.148214 0.166557 0.166557 Ga\n0.147676 0.904167 0.904168 O\n0.852324 0.095832 0.095832 O\n0.733453 0.847692 0.580093 O\n0.266547 0.419907 0.152307 O\n0.266547 0.152307 0.419907 O\n0.733453 0.580092 0.847693 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Ga-O-Rb",
"density": 4.3977049562714265,
"density_atomic": 0.04955172366034696,
"volume": 282.5330576987233,
"volume_molar": 12.15324173439224,
"formula_full": "Rb6 Ga2 O6",
"formula_reduced": "Rb3GaO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.4006718321428573,
"spacegroup": 12
},
{
"id": "jvasp-23438",
"created_at": "2022-09-04T14:35:41.617833Z",
"updated_at": "2022-09-04T14:35:41.617865Z",
"structure_string": "Rb2 Ga2 O4\n1.0\n0.000000 4.208648 4.208648\n4.208648 -0.000000 4.208648\n4.208648 4.208648 0.000000\nRb Ga O\n2 2 4\ndirect\n0.375000 0.375000 0.375000 Rb\n0.625000 0.625000 0.625000 Rb\n0.125000 0.125000 0.125000 Ga\n0.875000 0.875000 0.875000 Ga\n0.000000 0.000000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 8,
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],
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"volume": 149.0931902687124,
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"formula_full": "Rb2 Ga2 O4",
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"formula_anonymous": "ABC2",
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"spacegroup": 227
}
]
}