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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=1025",
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"results": [
{
"id": "jvasp-89132",
"created_at": "2022-09-04T14:35:42.482511Z",
"updated_at": "2022-09-04T14:35:42.482534Z",
"structure_string": "Na12 Nb4 O16\n1.0\n5.623291 0.002622 -1.243043\n-2.188177 8.210025 -1.325734\n0.009634 -0.003257 8.599423\nNa Nb O\n12 4 16\ndirect\n0.499999 0.499999 0.500000 Na\n-0.000001 0.376030 0.623969 Na\n-0.000000 0.500000 0.000000 Na\n0.999999 0.623969 0.376031 Na\n0.479365 0.626617 0.880965 Na\n0.520633 0.119034 0.373382 Na\n0.520633 0.373382 0.119035 Na\n0.479365 0.880965 0.626618 Na\n0.500000 -0.000000 0.000000 Na\n0.499999 0.740454 0.259546 Na\n0.499999 0.259545 0.740454 Na\n-0.000000 -0.000000 0.500000 Na\n-0.000001 0.866003 0.133997 Nb\n0.971072 0.738371 0.738371 Nb\n0.028926 0.261628 0.261629 Nb\n0.999999 0.133996 0.866003 Nb\n0.233013 0.246352 0.464963 O\n0.800330 0.887044 0.887045 O\n0.227589 0.875204 0.335786 O\n0.227589 0.335786 0.875205 O\n0.772409 0.124795 0.664214 O\n0.789902 0.347286 0.347287 O\n0.210096 0.652713 0.652713 O\n0.193838 0.767156 0.991729 O\n0.806160 0.008270 0.232843 O\n0.806160 0.232843 0.008271 O\n0.193838 0.991728 0.767157 O\n0.233013 0.464963 0.246352 O\n0.766985 0.753647 0.535037 O\n0.766985 0.535036 0.753648 O\n0.199668 0.112955 0.112955 O\n0.772409 0.664213 0.124795 O\n",
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"formula_full": "Na12 Nb4 O16",
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{
"id": "jvasp-59672",
"created_at": "2022-09-04T14:37:39.625149Z",
"updated_at": "2022-09-04T14:37:39.625171Z",
"structure_string": "Nd1 Mn12\n1.0\n4.301302 0.000000 1.689321\n2.150651 5.908660 0.844660\n-0.009336 0.000000 6.344362\nNd Mn\n1 12\ndirect\n0.000000 0.000000 0.000000 Nd\n0.732679 0.767319 0.767319 Mn\n0.499999 -0.000000 0.500000 Mn\n-0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 -0.000000 Mn\n-0.000000 -0.000000 0.500000 Mn\n0.367162 0.632837 0.632837 Mn\n-0.000001 0.367163 0.632837 Mn\n-0.000001 0.632837 0.367163 Mn\n0.632836 0.367163 0.367163 Mn\n0.267319 0.232681 0.232681 Mn\n0.499999 0.767319 0.232681 Mn\n0.499999 0.232681 0.767319 Mn\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Nd",
"Mn"
],
"chemical_system": "Mn-Nd",
"density": 8.270016440898418,
"density_atomic": 0.08057782413065746,
"volume": 161.33471138312714,
"volume_molar": 7.473694934024354,
"formula_full": "Nd1 Mn12",
"formula_reduced": "NdMn12",
"formula_anonymous": "AB12",
"energy_above_hull": 4.96511526127321,
"spacegroup": 139
},
{
"id": "jvasp-100065",
"created_at": "2022-09-04T14:38:39.918013Z",
"updated_at": "2022-09-04T14:38:39.918035Z",
"structure_string": "Cr1 Sb1 O4\n1.0\n3.679694 -0.008204 -4.144504\n-0.537088 3.640314 -4.144512\n0.007134 0.008220 5.542295\nCr Sb O\n1 1 4\ndirect\n0.749999 0.250000 0.500000 Cr\n-0.000001 0.000000 -0.000000 Sb\n0.543399 0.043401 0.499999 O\n0.208313 0.208312 0.000000 O\n0.956597 0.456600 0.499999 O\n0.791687 0.791687 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Sb",
"O"
],
"chemical_system": "Cr-O-Sb",
"density": 5.301632936870237,
"density_atomic": 0.0805720705454042,
"volume": 74.46749176712373,
"volume_molar": 7.474228624429338,
"formula_full": "Cr1 Sb1 O4",
"formula_reduced": "CrSbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.685249583333334,
"spacegroup": 119
},
{
"id": "jvasp-118366",
"created_at": "2022-09-04T14:38:50.958701Z",
"updated_at": "2022-09-04T14:38:50.958725Z",
"structure_string": "Ca1 Al1 O2\n1.0\n3.047310 -0.000000 -0.000000\n0.000000 3.047310 -0.000000\n0.000000 0.000000 5.346191\nCa Al O\n1 1 2\ndirect\n0.500000 0.500000 0.539018 Ca\n0.000000 0.000000 0.052363 Al\n0.000000 0.000000 0.387072 O\n0.500000 0.500000 0.031546 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Al",
"O"
],
"chemical_system": "Al-Ca-O",
"density": 3.3133124551562276,
"density_atomic": 0.08057164808418218,
"volume": 49.64525481495369,
"volume_molar": 7.474267814042972,
"formula_full": "Ca1 Al1 O2",
"formula_reduced": "CaAlO2",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-120477",
"created_at": "2022-09-04T14:38:52.790918Z",
"updated_at": "2022-09-04T14:38:52.790945Z",
"structure_string": "K1 Li1 Al2 Si4 O10 F2\n1.0\n5.289807 -0.005804 0.499156\n-2.718660 4.537728 0.499156\n-0.008150 -0.014365 10.344890\nK Li Al Si O F\n1 1 2 4 10 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Li\n0.830140 0.169861 0.500000 Al\n0.169861 0.830139 0.500000 Al\n0.585721 0.248953 0.231384 Si\n0.414279 0.751047 0.768617 Si\n0.751047 0.414279 0.768617 Si\n0.248953 0.585721 0.231384 Si\n0.546233 0.546232 0.824584 O\n0.453768 0.453768 0.175417 O\n0.171460 0.537112 0.396838 O\n0.828541 0.462889 0.603163 O\n0.462889 0.828541 0.603163 O\n0.571853 0.059600 0.831700 O\n0.940401 0.428148 0.168300 O\n0.059600 0.571852 0.831701 O\n0.428148 0.940400 0.168300 O\n0.537112 0.171460 0.396838 O\n0.878498 0.878498 0.412126 F\n0.121503 0.121502 0.587875 F\n",
"nsites": 20,
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"elements": [
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"Al",
"Si",
"O",
"F"
],
"chemical_system": "Al-F-K-Li-O-Si",
"density": 2.7449626924377477,
"density_atomic": 0.08057096920373032,
"volume": 248.22836559689824,
"volume_molar": 7.474330791246314,
"formula_full": "K1 Li1 Al2 Si4 O10 F2",
"formula_reduced": "KLiAl2Si4(O5F)2",
"formula_anonymous": "ABC2D2E4F10",
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"spacegroup": 12
},
{
"id": "jvasp-43028",
"created_at": "2022-09-04T14:38:12.230884Z",
"updated_at": "2022-09-04T14:38:12.230898Z",
"structure_string": "Cr1 Sb1 O4\n1.0\n5.539538 0.176120 -0.000000\n2.582733 4.903773 -0.000000\n-4.061135 -2.539947 2.788072\nCr Sb O\n1 1 4\ndirect\n0.750000 0.249999 0.500000 Cr\n0.000000 0.000000 0.000000 Sb\n0.543391 0.043390 0.500000 O\n0.208303 0.208303 0.000000 O\n0.956609 0.456608 0.500000 O\n0.791697 0.791696 0.000000 O\n",
"nsites": 6,
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"elements": [
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"O"
],
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"density": 5.301543320948027,
"density_atomic": 0.08057070859890728,
"volume": 74.46875054641599,
"volume_molar": 7.474354966864067,
"formula_full": "Cr1 Sb1 O4",
"formula_reduced": "CrSbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.685242916666667,
"spacegroup": 119
},
{
"id": "jvasp-96682",
"created_at": "2022-09-04T14:35:44.577903Z",
"updated_at": "2022-09-04T14:35:44.577925Z",
"structure_string": "Ca2 Mg2 As2 O8 F2\n1.0\n5.474204 -0.007128 -1.337167\n-1.966747 5.108705 -1.337167\n-0.012221 -0.017776 7.113759\nCa Mg As O F\n2 2 2 8 2\ndirect\n0.835911 0.671225 0.750974 Ca\n0.171225 0.335912 0.250974 Ca\n0.503551 0.003569 0.000969 Mg\n0.503569 0.003551 0.500969 Mg\n0.824702 0.682427 0.250975 As\n0.182426 0.324703 0.750976 As\n0.243849 0.622178 0.927104 O\n0.603304 0.674702 0.382149 O\n0.832423 0.903837 0.119811 O\n0.763250 0.384948 0.074840 O\n0.174702 0.103304 0.882150 O\n0.403836 0.332423 0.619811 O\n0.122178 0.743849 0.427105 O\n0.884947 0.263250 0.574840 O\n0.421499 0.085621 0.250972 F\n0.585620 0.921499 0.750972 F\n",
"nsites": 16,
"nelements": 5,
"elements": [
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"Mg",
"As",
"O",
"F"
],
"chemical_system": "As-Ca-F-Mg-O",
"density": 3.717712505468483,
"density_atomic": 0.08057049850013359,
"volume": 198.58385262409007,
"volume_molar": 7.474374457283536,
"formula_full": "Ca2 Mg2 As2 O8 F2",
"formula_reduced": "CaMgAsO4F",
"formula_anonymous": "ABCDE4",
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"spacegroup": 15
},
{
"id": "jvasp-9732",
"created_at": "2022-09-04T14:36:53.227523Z",
"updated_at": "2022-09-04T14:36:53.227555Z",
"structure_string": "Cd2 S2 O8\n1.0\n4.731144 0.000000 0.000000\n0.000000 4.770335 0.000000\n0.000000 0.000000 6.599526\nCd S O\n2 2 8\ndirect\n0.859819 0.751451 0.500000 Cd\n0.140180 0.251450 0.000000 Cd\n0.337264 0.231104 0.500000 S\n0.662735 0.731105 0.000000 S\n0.802341 0.599790 0.820651 O\n0.197658 0.099789 0.679350 O\n0.197658 0.099789 0.320651 O\n0.802341 0.599790 0.179350 O\n0.355862 0.673695 0.000000 O\n0.644137 0.173694 0.500000 O\n0.698980 0.039774 0.000000 O\n0.301019 0.539775 0.500000 O\n",
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],
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"density": 4.648387980364564,
"density_atomic": 0.0805663069123037,
"volume": 148.9456381941645,
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"formula_full": "Cd2 S2 O8",
"formula_reduced": "CdSO4",
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"spacegroup": 31
},
{
"id": "jvasp-25288",
"created_at": "2022-09-04T14:37:49.469813Z",
"updated_at": "2022-09-04T14:37:49.469833Z",
"structure_string": "H2\n1.0\n-1.701525 1.701525 2.143668\n1.701525 -1.701525 2.143668\n1.701525 1.701525 -2.143668\nH\n2\ndirect\n0.912413 0.912413 -0.000000 H\n0.087588 0.087588 -0.000000 H\n",
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"formula_full": "H2",
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},
{
"id": "jvasp-9204",
"created_at": "2022-09-04T14:37:28.286596Z",
"updated_at": "2022-09-04T14:37:28.286619Z",
"structure_string": "Ca4 Mn4 O8\n1.0\n3.302474 0.107329 0.198661\n-0.186024 7.878588 -1.140086\n-0.421452 -1.661486 7.838051\nCa Mn O\n4 4 8\ndirect\n0.237068 0.785288 0.938214 Ca\n0.736997 0.185296 0.080594 Ca\n0.737103 0.919932 0.322493 Ca\n0.236967 0.050654 0.696317 Ca\n0.736863 0.421302 0.820356 Mn\n0.737014 0.667381 0.566615 Mn\n0.236840 0.303206 0.452192 Mn\n0.237017 0.549283 0.198448 Mn\n0.737163 0.434478 0.331910 O\n0.736848 0.185402 0.573957 O\n0.237238 0.785187 0.444854 O\n0.236994 0.536109 0.686897 O\n0.236902 0.312280 0.949096 O\n0.737029 0.916867 0.815722 O\n0.737176 0.658304 0.069713 O\n0.237055 0.053723 0.203088 O\n",
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"volume": 198.6103722365574,
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"formula_full": "Ca4 Mn4 O8",
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},
{
"id": "jvasp-12125",
"created_at": "2022-09-04T14:36:16.280148Z",
"updated_at": "2022-09-04T14:36:16.280157Z",
"structure_string": "Zn2 W2 O8\n1.0\n4.406541 -0.176553 -1.945120\n-1.178534 4.302102 -1.944389\n0.765712 0.903503 7.065970\nZn W O\n2 2 8\ndirect\n0.370599 0.620626 0.241232 Zn\n0.629401 0.379373 0.758767 Zn\n0.838475 0.088491 0.176974 W\n0.161524 0.911507 0.823026 W\n0.871565 0.593754 0.651719 O\n0.506969 0.266812 0.089568 O\n0.719818 0.942060 0.348291 O\n0.917412 0.177242 0.910434 O\n0.128436 0.406246 0.348281 O\n0.280183 0.057940 0.651708 O\n0.493032 0.733187 0.910431 O\n0.082587 0.822759 0.089566 O\n",
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"formula_full": "Zn2 W2 O8",
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},
{
"id": "jvasp-91573",
"created_at": "2022-09-04T14:35:52.300926Z",
"updated_at": "2022-09-04T14:35:52.300937Z",
"structure_string": "Ti4 H2 Pd2\n1.0\n2.879343 0.000000 0.000000\n0.000000 2.879343 -0.000000\n0.000000 -0.000000 11.978631\nTi H Pd\n4 2 2\ndirect\n0.000000 0.000000 0.332856 Ti\n0.000000 0.000000 0.667144 Ti\n0.499999 0.499999 0.841504 Ti\n0.499999 0.499999 0.158496 Ti\n0.499999 0.499999 0.316785 H\n0.499999 0.499999 0.683215 H\n0.000000 0.000000 0.000000 Pd\n0.499999 0.499999 0.500000 Pd\n",
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],
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"volume": 99.31023116409817,
"volume_molar": 7.475752387229222,
"formula_full": "Ti4 H2 Pd2",
"formula_reduced": "Ti2HPd",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8547705916666666,
"spacegroup": 123
}
]
}