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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=1541",
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"results": [
{
"id": "jvasp-21610",
"created_at": "2022-09-04T14:38:32.559833Z",
"updated_at": "2022-09-04T14:38:32.559856Z",
"structure_string": "Mg2 B8 Os6\n1.0\n2.931873 -0.000000 -0.000000\n-1.465937 5.961331 0.000000\n0.000000 -0.000000 9.844566\nMg B Os\n2 8 6\ndirect\n0.499999 0.000000 0.000000 Mg\n0.499999 0.000000 0.500000 Mg\n0.622804 0.245610 0.250000 B\n0.377194 0.754389 0.750000 B\n0.344313 0.688629 0.250000 B\n0.655685 0.311371 0.750000 B\n0.160070 0.320140 0.890108 B\n0.839928 0.679860 0.390108 B\n0.839928 0.679860 0.109893 B\n0.160070 0.320140 0.609893 B\n0.198019 0.396041 0.106965 Os\n0.018030 0.036060 0.750000 Os\n0.981968 0.963940 0.250000 Os\n0.801978 0.603959 0.893035 Os\n0.801978 0.603959 0.606965 Os\n0.198019 0.396041 0.393035 Os\n",
"nsites": 16,
"nelements": 3,
"elements": [
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],
"chemical_system": "B-Mg-Os",
"density": 12.319057042417175,
"density_atomic": 0.0929897365288464,
"volume": 172.06199949858586,
"volume_molar": 6.476134877672084,
"formula_full": "Mg2 B8 Os6",
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"formula_anonymous": "AB3C4",
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"spacegroup": 63
},
{
"id": "jvasp-10868",
"created_at": "2022-09-04T14:38:28.279547Z",
"updated_at": "2022-09-04T14:38:28.279577Z",
"structure_string": "Mg1 Sn1 B2 O6\n1.0\n4.314229 -0.009061 3.726025\n1.699843 3.965247 3.726025\n-0.013775 -0.009061 5.700494\nMg Sn B O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500001 0.499998 Sn\n0.751597 0.751598 0.751594 B\n0.248404 0.248404 0.248403 B\n0.750910 0.460236 0.042267 O\n0.042268 0.750911 0.460235 O\n0.539764 0.957733 0.249088 O\n0.249090 0.539765 0.957730 O\n0.957732 0.249090 0.539762 O\n0.460237 0.042269 0.750909 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"B",
"O"
],
"chemical_system": "B-Mg-O-Sn",
"density": 4.420831653313,
"density_atomic": 0.10214681043072263,
"volume": 97.89830889318014,
"volume_molar": 5.895573963206907,
"formula_full": "Mg1 Sn1 B2 O6",
"formula_reduced": "MgSn(BO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.5037526916666666,
"spacegroup": 148
},
{
"id": "jvasp-11130",
"created_at": "2022-09-04T14:36:49.139881Z",
"updated_at": "2022-09-04T14:36:49.139901Z",
"structure_string": "Sr2 Mg1 B2 O6\n1.0\n5.178961 0.000000 0.000000\n-2.589481 3.989590 -2.181231\n0.000000 -0.014219 6.104801\nSr Mg B O\n2 1 2 6\ndirect\n0.709469 0.418939 0.182374 Sr\n0.290531 0.581061 0.817626 Sr\n0.500000 -0.000000 0.500000 Mg\n0.936875 0.873750 0.737063 B\n0.063125 0.126250 0.262937 B\n0.767771 0.535542 0.664023 O\n0.207495 0.952969 0.231241 O\n0.254526 0.047031 0.768759 O\n0.792505 0.047031 0.768759 O\n0.745474 0.952969 0.231241 O\n0.232229 0.464457 0.335977 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"B",
"O"
],
"chemical_system": "B-Mg-O-Sr",
"density": 4.180643490869196,
"density_atomic": 0.08731797532723433,
"volume": 125.97635204866137,
"volume_molar": 6.8967938588032105,
"formula_full": "Sr2 Mg1 B2 O6",
"formula_reduced": "Sr2Mg(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.0801907124242422,
"spacegroup": 12
},
{
"id": "jvasp-98094",
"created_at": "2022-09-04T14:37:40.793899Z",
"updated_at": "2022-09-04T14:37:40.793917Z",
"structure_string": "Mg16 B2 Pt8\n1.0\n7.513573 0.000000 4.337963\n2.504524 7.083865 4.337963\n0.000000 0.000000 8.675927\nMg B Pt\n16 2 8\ndirect\n0.675128 0.675128 0.074872 Mg\n0.074872 0.074872 0.675128 Mg\n-0.000000 0.500000 0.500000 Mg\n0.925128 0.324872 0.324872 Mg\n0.324871 0.925128 0.324872 Mg\n0.074872 0.675128 0.675129 Mg\n0.675128 0.074872 0.675128 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 -0.000000 0.500000 Mg\n0.324872 0.324872 0.925129 Mg\n0.324871 0.925128 0.925129 Mg\n0.925128 0.324872 0.925128 Mg\n0.074872 0.675128 0.074872 Mg\n0.500000 0.500000 0.500000 Mg\n0.925127 0.925128 0.324872 Mg\n0.675128 0.074872 0.074872 Mg\n0.625000 0.625000 0.625000 B\n0.375000 0.375000 0.375000 B\n0.274766 0.675702 0.274766 Pt\n0.725233 0.725234 0.725234 Pt\n0.725234 0.324298 0.725234 Pt\n0.324298 0.725234 0.725234 Pt\n0.675702 0.274766 0.274766 Pt\n0.274766 0.274766 0.274766 Pt\n0.274766 0.274766 0.675702 Pt\n0.725233 0.725234 0.324298 Pt\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Mg",
"B",
"Pt"
],
"chemical_system": "B-Mg-Pt",
"density": 7.088288478102283,
"density_atomic": 0.056304184481512684,
"volume": 461.77740143873365,
"volume_molar": 10.695725043273388,
"formula_full": "Mg16 B2 Pt8",
"formula_reduced": "Mg8BPt4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 0.7158054294871796,
"spacegroup": 227
},
{
"id": "jvasp-93095",
"created_at": "2022-09-04T14:36:02.730543Z",
"updated_at": "2022-09-04T14:36:02.730576Z",
"structure_string": "Rb1 Mg6 B1\n1.0\n8.359936 0.111553 0.000000\n-4.083360 7.295694 0.000000\n0.000000 0.000000 3.272517\nRb Mg B\n1 6 1\ndirect\n0.161441 0.338558 0.250000 Rb\n0.170785 0.940324 0.250000 Mg\n0.559676 0.329215 0.250000 Mg\n0.713539 0.786460 0.250000 Mg\n0.372793 0.792472 0.750001 Mg\n0.707528 0.127206 0.750001 Mg\n0.913842 0.586158 0.750001 Mg\n0.400396 0.099604 0.750001 B\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"B"
],
"chemical_system": "B-Mg-Rb",
"density": 1.9992944114709357,
"density_atomic": 0.039783873599704304,
"volume": 201.086502548597,
"volume_molar": 15.137140291046874,
"formula_full": "Rb1 Mg6 B1",
"formula_reduced": "RbMg6B",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-119090",
"created_at": "2022-09-04T14:38:34.194138Z",
"updated_at": "2022-09-04T14:38:34.194164Z",
"structure_string": "Mg6 B4 Rh10\n1.0\n9.468553 -0.000000 0.000000\n0.000000 9.468553 0.000000\n-0.000000 -0.000000 2.945968\nMg B Rh\n6 4 10\ndirect\n0.676792 0.176792 -0.000000 Mg\n0.323208 0.823207 -0.000000 Mg\n0.176792 0.323208 -0.000000 Mg\n0.823207 0.676792 -0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.626256 0.873744 -0.000000 B\n0.373744 0.126256 -0.000000 B\n0.126256 0.626256 -0.000000 B\n0.873744 0.373744 -0.000000 B\n0.571007 0.719378 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n-0.000000 0.500000 0.500000 Rh\n0.219378 0.071007 0.500000 Rh\n0.780622 0.928992 0.500000 Rh\n0.071007 0.780622 0.500000 Rh\n0.719378 0.428993 0.500000 Rh\n0.928992 0.219378 0.500000 Rh\n0.280622 0.571007 0.500000 Rh\n0.428993 0.280622 0.500000 Rh\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mg",
"B",
"Rh"
],
"chemical_system": "B-Mg-Rh",
"density": 7.658560121117235,
"density_atomic": 0.07572420832970733,
"volume": 264.11633005021207,
"volume_molar": 7.952728582884975,
"formula_full": "Mg6 B4 Rh10",
"formula_reduced": "Mg3B2Rh5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 2.4424347316666672,
"spacegroup": 127
},
{
"id": "jvasp-27278",
"created_at": "2022-09-04T14:38:31.646082Z",
"updated_at": "2022-09-04T14:38:31.646108Z",
"structure_string": "Mg4 B8 Ru10\n1.0\n2.963895 0.000000 0.000000\n0.000000 8.417643 -0.000000\n0.000000 -0.000000 10.061681\nMg B Ru\n4 8 10\ndirect\n0.499999 0.648128 0.815524 Mg\n0.499999 0.351871 0.184476 Mg\n0.499999 0.148129 0.684476 Mg\n0.499999 0.851871 0.315524 Mg\n0.499999 0.539504 0.411225 B\n0.499999 0.039504 0.088775 B\n0.499999 0.960495 0.911225 B\n0.499999 0.460495 0.588775 B\n0.499999 0.352070 0.897259 B\n0.499999 0.147930 0.397259 B\n0.499999 0.852070 0.602741 B\n0.499999 0.647930 0.102741 B\n0.000000 0.156223 0.952077 Ru\n0.000000 0.395164 0.737704 Ru\n0.000000 0.604836 0.262296 Ru\n0.000000 0.895164 0.762296 Ru\n0.000000 0.104836 0.237704 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.500000 0.000000 Ru\n0.000000 0.656222 0.547923 Ru\n0.000000 0.343777 0.452077 Ru\n0.000000 0.843777 0.047923 Ru\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Mg",
"B",
"Ru"
],
"chemical_system": "B-Mg-Ru",
"density": 7.90092501034231,
"density_atomic": 0.08763928376102893,
"volume": 251.02897988062824,
"volume_molar": 6.87150841672887,
"formula_full": "Mg4 B8 Ru10",
"formula_reduced": "Mg2B4Ru5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 4.228709175757577,
"spacegroup": 55
},
{
"id": "jvasp-93091",
"created_at": "2022-09-04T14:35:56.311122Z",
"updated_at": "2022-09-04T14:35:56.311147Z",
"structure_string": "Mg6 Si1 B1\n1.0\n6.163209 0.921959 0.000000\n-2.283165 5.798474 0.000000\n0.000000 0.000000 4.011434\nMg Si B\n6 1 1\ndirect\n0.186769 0.941767 0.250000 Mg\n0.558233 0.313231 0.250000 Mg\n0.629606 0.870394 0.250000 Mg\n0.336241 0.600470 0.749999 Mg\n0.899530 0.163759 0.749999 Mg\n0.856011 0.643989 0.749999 Mg\n0.048614 0.451386 0.250000 Si\n0.485002 0.014998 0.749999 B\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Si",
"B"
],
"chemical_system": "B-Mg-Si",
"density": 2.0207024455462412,
"density_atomic": 0.052700417386183494,
"volume": 151.8014542726822,
"volume_molar": 11.427121565034946,
"formula_full": "Mg6 Si1 B1",
"formula_reduced": "Mg6SiB",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3833856854166666,
"spacegroup": 38
},
{
"id": "jvasp-93099",
"created_at": "2022-09-04T14:36:05.715523Z",
"updated_at": "2022-09-04T14:36:05.715539Z",
"structure_string": "Mg6 Si1 B1\n1.0\n5.904344 -1.396448 0.000000\n-4.161530 7.207982 0.000000\n0.000000 0.000000 4.103192\nMg Si B\n6 1 1\ndirect\n0.776410 0.389728 0.250000 Mg\n0.776409 0.886682 0.250000 Mg\n0.264734 0.056958 0.750000 Mg\n0.264734 0.707778 0.750000 Mg\n0.887071 0.193537 0.750000 Mg\n0.683254 0.591627 0.750000 Mg\n0.272197 0.386098 0.250000 Si\n0.075184 0.787591 0.250000 B\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.034389184821825,
"density_atomic": 0.05305737091690688,
"volume": 150.78018118403935,
"volume_molar": 11.350243436357356,
"formula_full": "Mg6 Si1 B1",
"formula_reduced": "Mg6SiB",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3901719354166666,
"spacegroup": 38
},
{
"id": "jvasp-91957",
"created_at": "2022-09-04T14:36:06.757297Z",
"updated_at": "2022-09-04T14:36:06.757331Z",
"structure_string": "Mg6 Sn1 B1\n1.0\n6.901114 -0.548733 0.000000\n-3.925774 5.702175 0.000000\n0.000000 0.000000 4.601954\nMg Sn B\n6 1 1\ndirect\n0.170711 0.874088 0.250000 Mg\n0.625911 0.329289 0.250000 Mg\n0.678503 0.821496 0.250000 Mg\n0.319733 0.685645 0.749999 Mg\n0.814355 0.180267 0.749999 Mg\n0.825196 0.674803 0.749999 Mg\n0.147174 0.352826 0.250000 Sn\n0.418418 0.081582 0.749999 B\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.6710604882526896,
"density_atomic": 0.046734538082057686,
"volume": 171.179609948287,
"volume_molar": 12.885846329381009,
"formula_full": "Mg6 Sn1 B1",
"formula_reduced": "Mg6SnB",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-93197",
"created_at": "2022-09-04T14:35:58.302622Z",
"updated_at": "2022-09-04T14:35:58.302654Z",
"structure_string": "Mg6 Ti1 B1\n1.0\n6.553867 1.242421 0.000000\n-2.200967 6.297025 0.000000\n0.000000 0.000000 3.605053\nMg Ti B\n6 1 1\ndirect\n0.207151 0.943873 0.250000 Mg\n0.556127 0.292849 0.250000 Mg\n0.670199 0.829802 0.250000 Mg\n0.382519 0.614628 0.749999 Mg\n0.885373 0.117481 0.749999 Mg\n0.901596 0.598404 0.749999 Mg\n0.134803 0.365198 0.250000 Ti\n0.262233 0.237767 0.749999 B\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.140679847423709,
"density_atomic": 0.050429226701100865,
"volume": 158.63816527302333,
"volume_molar": 11.94176701477863,
"formula_full": "Mg6 Ti1 B1",
"formula_reduced": "Mg6TiB",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.4828931520833333,
"spacegroup": 38
},
{
"id": "jvasp-93202",
"created_at": "2022-09-04T14:36:08.791382Z",
"updated_at": "2022-09-04T14:36:08.791405Z",
"structure_string": "Mg6 Ti1 B1\n1.0\n6.670008 0.610803 0.000000\n-2.806033 4.860192 0.000000\n0.000000 0.000000 4.451564\nMg Ti B\n6 1 1\ndirect\n0.618702 0.310482 0.250000 Mg\n0.618702 0.808217 0.250000 Mg\n0.325781 0.160132 0.749999 Mg\n0.325781 0.665649 0.749999 Mg\n0.831778 0.165889 0.749999 Mg\n0.909258 0.704628 0.749999 Mg\n0.130270 0.315134 0.250000 Ti\n0.239731 0.869865 0.250000 B\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.235074490297291,
"density_atomic": 0.05265293560860996,
"volume": 151.93834697968515,
"volume_molar": 11.437426404417309,
"formula_full": "Mg6 Ti1 B1",
"formula_reduced": "Mg6TiB",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.5112644020833333,
"spacegroup": 38
}
]
}