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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=919",
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"results": [
{
"id": "jvasp-46366",
"created_at": "2022-09-04T14:38:08.355417Z",
"updated_at": "2022-09-04T14:38:08.355436Z",
"structure_string": "Sm4 Mn4 O14\n1.0\n0.000000 5.052541 5.052541\n5.052541 0.000000 5.052541\n5.052541 5.052541 0.000000\nSm Mn O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.500000 0.500000 Sm\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.924811 0.325189 0.924811 O\n0.625000 0.625000 0.625000 O\n0.325189 0.325189 0.924811 O\n0.924811 0.924811 0.325189 O\n0.325189 0.924811 0.325189 O\n0.075189 0.674811 0.075189 O\n0.075189 0.075189 0.674811 O\n0.375000 0.375000 0.375000 O\n0.674811 0.674811 0.075189 O\n0.075189 0.674811 0.674811 O\n0.924811 0.325189 0.325189 O\n0.674811 0.075189 0.075189 O\n0.674811 0.075189 0.674811 O\n0.325189 0.924811 0.924811 O\n",
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"density": 6.727941770287597,
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"volume": 257.96425678524713,
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"formula_full": "Sm4 Mn4 O14",
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{
"id": "jvasp-28439",
"created_at": "2022-09-04T14:37:07.638467Z",
"updated_at": "2022-09-04T14:37:07.638487Z",
"structure_string": "Ho2 Te6\n1.0\n4.033451 0.000000 0.000000\n0.000000 0.000000 4.592964\n-2.016726 -13.923596 -0.000000\nHo Te\n2 6\ndirect\n0.948888 0.250000 0.897776 Ho\n0.051111 0.749999 0.102225 Ho\n0.835910 0.250000 0.671821 Te\n0.164089 0.749999 0.328179 Te\n0.687293 0.250000 0.374586 Te\n0.312706 0.749999 0.625414 Te\n0.552681 0.250000 0.105362 Te\n0.447317 0.749999 0.894638 Te\n",
"nsites": 8,
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"elements": [
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],
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"density": 7.052200240038951,
"density_atomic": 0.031014782988750277,
"volume": 257.9415114044735,
"volume_molar": 19.41700111906106,
"formula_full": "Ho2 Te6",
"formula_reduced": "HoTe3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8879697166666668,
"spacegroup": 63
},
{
"id": "jvasp-45872",
"created_at": "2022-09-04T14:38:05.569484Z",
"updated_at": "2022-09-04T14:38:05.569510Z",
"structure_string": "Li4 Fe2 Si4 O12\n1.0\n2.893180 4.838509 0.119996\n-2.893180 4.838509 -0.119996\n-0.208719 0.000000 9.204192\nLi Fe Si O\n4 2 4 12\ndirect\n0.606672 0.719794 0.881221 Li\n0.280206 0.393328 0.381221 Li\n0.719794 0.606672 0.618779 Li\n0.393328 0.280206 0.118779 Li\n0.249375 0.249375 0.750000 Fe\n0.750625 0.750625 0.250000 Fe\n0.137171 0.795294 0.633943 Si\n0.204706 0.862829 0.133943 Si\n0.795294 0.137171 0.866056 Si\n0.862829 0.204706 0.366056 Si\n0.759132 0.516975 0.414180 O\n0.483025 0.240868 0.914180 O\n0.000000 0.000000 0.000000 O\n0.122387 0.122387 0.250000 O\n-0.000000 0.000000 0.500000 O\n0.367839 0.853269 0.707605 O\n0.516975 0.759132 0.085820 O\n0.240868 0.483025 0.585820 O\n0.146731 0.632161 0.207605 O\n0.853269 0.367839 0.792395 O\n0.877613 0.877613 0.750000 O\n0.632161 0.146731 0.292395 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.857027970612247,
"density_atomic": 0.08529267552607418,
"volume": 257.9353955577879,
"volume_molar": 7.060560268342171,
"formula_full": "Li4 Fe2 Si4 O12",
"formula_reduced": "Li2Fe(SiO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.5935957909090908,
"spacegroup": 15
},
{
"id": "jvasp-102354",
"created_at": "2022-09-04T14:37:16.261037Z",
"updated_at": "2022-09-04T14:37:16.261058Z",
"structure_string": "Sr4 Mg2\n1.0\n6.807324 0.174402 -1.656874\n-4.171592 5.382183 -1.656874\n-0.082726 -0.174402 7.005573\nSr Mg\n4 2\ndirect\n0.665716 0.834283 0.500000 Sr\n0.334283 0.165716 0.500000 Sr\n0.165716 0.665716 0.831433 Sr\n0.834283 0.334283 0.168567 Sr\n0.250000 0.250000 0.000000 Mg\n0.749999 0.749999 0.000001 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.5697924009317252,
"density_atomic": 0.023266408430785923,
"volume": 257.88251838908013,
"volume_molar": 25.883413754705483,
"formula_full": "Sr4 Mg2",
"formula_reduced": "Sr2Mg",
"formula_anonymous": "AB2",
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"spacegroup": 140
},
{
"id": "jvasp-23492",
"created_at": "2022-09-04T14:37:35.017374Z",
"updated_at": "2022-09-04T14:37:35.017393Z",
"structure_string": "Sr4 In2 Pd4\n1.0\n6.021780 -0.000000 -0.000000\n-3.010890 5.123703 -1.267241\n-0.000000 -0.030061 8.365263\nSr In Pd\n4 2 4\ndirect\n0.209140 0.704144 0.352595 Sr\n0.504995 0.295855 0.147404 Sr\n0.790860 0.295855 0.647404 Sr\n0.495005 0.704144 0.852595 Sr\n0.858555 0.000000 0.250000 In\n0.141445 0.000000 0.750000 In\n0.998250 0.271228 0.002485 Pd\n0.727021 0.728772 0.497515 Pd\n0.001749 0.728772 0.997515 Pd\n0.272978 0.271228 0.502484 Pd\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sr",
"In",
"Pd"
],
"chemical_system": "In-Pd-Sr",
"density": 6.476744093981013,
"density_atomic": 0.03877910094485485,
"volume": 257.87085714597475,
"volume_molar": 15.529345996349118,
"formula_full": "Sr4 In2 Pd4",
"formula_reduced": "Sr2InPd2",
"formula_anonymous": "AB2C2",
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"spacegroup": 15
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{
"id": "jvasp-7642",
"created_at": "2022-09-04T14:37:00.035834Z",
"updated_at": "2022-09-04T14:37:00.035859Z",
"structure_string": "K2 Al2 Te4\n1.0\n6.153982 -0.000000 3.329387\n3.076991 6.070710 1.664693\n0.188312 -0.000000 7.004080\nK Al Te\n2 2 4\ndirect\n0.750000 0.000000 0.000001 K\n0.250000 0.000000 0.000000 K\n0.749999 0.500000 0.500000 Al\n0.250000 0.500000 0.500000 Al\n0.166426 0.500000 0.167146 Te\n0.333573 0.832854 0.500000 Te\n0.666426 0.167146 0.500000 Te\n0.833573 0.500000 0.832854 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Al",
"Te"
],
"chemical_system": "Al-K-Te",
"density": 4.137893184158729,
"density_atomic": 0.031024636120394185,
"volume": 257.8595916147156,
"volume_molar": 19.410834462749165,
"formula_full": "K2 Al2 Te4",
"formula_reduced": "KAlTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4257165833333334,
"spacegroup": 140
},
{
"id": "jvasp-36727",
"created_at": "2022-09-04T14:38:05.201616Z",
"updated_at": "2022-09-04T14:38:05.201643Z",
"structure_string": "Rb2 Ba2 Si2 H2 O8\n1.0\n0.000000 5.940888 -0.024179\n8.175521 0.000000 0.000000\n0.000000 -2.849092 -5.297386\nRb Ba Si H O\n2 2 2 2 8\ndirect\n0.365541 0.229258 0.711683 Rb\n0.634461 0.729258 0.288318 Rb\n0.013470 0.484411 0.004912 Ba\n0.986531 0.984411 0.995089 Ba\n0.694809 0.245929 0.377653 Si\n0.305192 0.745928 0.622348 Si\n0.513292 0.009448 0.454748 H\n0.486709 0.509447 0.545253 H\n0.844463 0.241203 0.208919 O\n0.155538 0.741203 0.791082 O\n0.885914 0.236256 0.681703 O\n0.114088 0.736255 0.318298 O\n0.493011 0.399365 0.309684 O\n0.506990 0.899365 0.690317 O\n0.507795 0.071132 0.305247 O\n0.492206 0.571132 0.694754 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Rb",
"Ba",
"Si",
"H",
"O"
],
"chemical_system": "Ba-H-O-Rb-Si",
"density": 4.068471027484291,
"density_atomic": 0.06205002468982901,
"volume": 257.85646468280385,
"volume_molar": 9.705299538723835,
"formula_full": "Rb2 Ba2 Si2 H2 O8",
"formula_reduced": "RbBaSiHO4",
"formula_anonymous": "ABCDE4",
"energy_above_hull": 1.7496623212499998,
"spacegroup": 4
},
{
"id": "jvasp-9454",
"created_at": "2022-09-04T14:38:14.235775Z",
"updated_at": "2022-09-04T14:38:14.235803Z",
"structure_string": "Ba2 Ti3 Tl2 O10\n1.0\n3.971343 0.002938 -0.075525\n0.000412 3.978025 0.002816\n-0.393498 -0.250935 16.329087\nBa Ti Tl O\n2 3 2 10\ndirect\n0.820672 0.773015 0.258569 Ba\n0.283489 0.297584 0.738628 Ba\n0.827631 0.805725 0.859513 Ti\n0.303821 0.243992 0.134395 Ti\n0.746453 0.320806 0.995285 Ti\n0.171831 0.278857 0.435945 Tl\n0.771826 0.787983 0.585997 Tl\n0.305143 0.794024 0.139638 O\n0.339073 0.296204 0.248887 O\n0.804989 0.294476 0.114918 O\n0.298566 0.307253 0.007944 O\n0.761018 0.796552 0.726817 O\n0.276087 0.803831 0.846824 O\n0.510516 0.780140 0.471316 O\n0.783716 0.304950 0.868605 O\n0.052264 0.287503 0.584798 O\n0.792423 0.808384 0.974974 O\n",
"nsites": 17,
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"elements": [
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"Ti",
"Tl",
"O"
],
"chemical_system": "Ba-O-Ti-Tl",
"density": 6.356245746485121,
"density_atomic": 0.06592899973041133,
"volume": 257.85314610435904,
"volume_molar": 9.1342820073488,
"formula_full": "Ba2 Ti3 Tl2 O10",
"formula_reduced": "Ba2Ti3Tl2O10",
"formula_anonymous": "A2B2C3D10",
"energy_above_hull": 2.3407939494117653,
"spacegroup": 1
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{
"id": "jvasp-86280",
"created_at": "2022-09-04T14:36:08.106091Z",
"updated_at": "2022-09-04T14:36:08.106125Z",
"structure_string": "Pr4 Al4 Pt4\n1.0\n4.506657 0.000000 0.000000\n0.000000 7.247378 0.000000\n0.000000 0.000000 7.894404\nPr Al Pt\n4 4 4\ndirect\n0.250000 0.527904 0.182055 Pr\n0.250000 0.027904 0.317944 Pr\n0.750001 0.972096 0.682055 Pr\n0.750001 0.472096 0.817944 Pr\n0.250000 0.147287 0.931373 Al\n0.750001 0.352713 0.431373 Al\n0.250000 0.647287 0.568627 Al\n0.750001 0.852713 0.068627 Al\n0.250000 0.786526 0.890998 Pt\n0.250000 0.286526 0.609002 Pt\n0.750001 0.713475 0.390998 Pt\n0.750001 0.213474 0.109002 Pt\n",
"nsites": 12,
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"elements": [
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],
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"density": 9.350371557887055,
"density_atomic": 0.04654001077865475,
"volume": 257.84265622696665,
"volume_molar": 12.939706414425697,
"formula_full": "Pr4 Al4 Pt4",
"formula_reduced": "PrAlPt",
"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-87180",
"created_at": "2022-09-04T14:35:51.564642Z",
"updated_at": "2022-09-04T14:35:51.564669Z",
"structure_string": "Tb4 Sb4 Rh4\n1.0\n4.578438 -0.000000 0.000000\n0.000000 7.177275 0.000000\n0.000000 0.000000 7.846304\nTb Sb Rh\n4 4 4\ndirect\n0.250000 0.509510 0.799412 Tb\n0.750000 0.490489 0.200588 Tb\n0.250000 0.009510 0.700588 Tb\n0.750000 0.990489 0.299412 Tb\n0.250000 0.192959 0.091116 Sb\n0.750000 0.307041 0.591116 Sb\n0.250000 0.692958 0.408883 Sb\n0.750000 0.807041 0.908883 Sb\n0.750000 0.199321 0.918360 Rh\n0.250000 0.300679 0.418360 Rh\n0.750000 0.699320 0.581639 Rh\n0.250000 0.800679 0.081639 Rh\n",
"nsites": 12,
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"elements": [
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],
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"density": 9.881782100766738,
"density_atomic": 0.04654137302104391,
"volume": 257.83510930316004,
"volume_molar": 12.93932767578013,
"formula_full": "Tb4 Sb4 Rh4",
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"spacegroup": 62
},
{
"id": "jvasp-86882",
"created_at": "2022-09-04T14:35:54.137264Z",
"updated_at": "2022-09-04T14:35:54.137288Z",
"structure_string": "Pr4 Al4 Pt4\n1.0\n4.506604 0.000000 0.000000\n0.000000 7.247377 0.000000\n0.000000 0.000000 7.894258\nPr Al Pt\n4 4 4\ndirect\n0.250000 0.527923 0.182051 Pr\n0.250000 0.027923 0.317950 Pr\n0.749999 0.972078 0.682051 Pr\n0.749999 0.472077 0.817950 Pr\n0.250000 0.147266 0.931374 Al\n0.749999 0.352734 0.431373 Al\n0.250000 0.647266 0.568627 Al\n0.749999 0.852734 0.068627 Al\n0.250000 0.786521 0.890980 Pt\n0.250000 0.286520 0.609021 Pt\n0.749999 0.713480 0.390980 Pt\n0.749999 0.213480 0.109020 Pt\n",
"nsites": 12,
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"elements": [
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],
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"density": 9.350655745378111,
"density_atomic": 0.046541425277406484,
"volume": 257.83481980783677,
"volume_molar": 12.939313147600242,
"formula_full": "Pr4 Al4 Pt4",
"formula_reduced": "PrAlPt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4149946833333338,
"spacegroup": 62
},
{
"id": "jvasp-70152",
"created_at": "2022-09-04T14:36:01.969118Z",
"updated_at": "2022-09-04T14:36:01.969146Z",
"structure_string": "Sr2 Be1 Sb2\n1.0\n-3.152721 3.152721 6.484643\n3.152721 -3.152721 6.484643\n3.152721 3.152721 -6.484643\nSr Be Sb\n2 1 2\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.000000 0.000000 0.000000 Be\n0.824349 0.824349 0.000000 Sb\n0.175650 0.175650 0.000000 Sb\n",
"nsites": 5,
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"elements": [
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"Be",
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],
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"density": 2.7551452158588514,
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"volume": 257.82031949785846,
"volume_molar": 31.05260509608552,
"formula_full": "Sr2 Be1 Sb2",
"formula_reduced": "Sr2BeSb2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7518301839999998,
"spacegroup": 139
}
]
}