HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4076",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4074",
"results": [
{
"id": "jvasp-119979",
"created_at": "2022-09-04T14:38:52.457196Z",
"updated_at": "2022-09-04T14:38:52.457225Z",
"structure_string": "Be1 Te1 Cl1\n1.0\n3.519242 -0.000000 0.000000\n-0.000000 3.519242 -0.000000\n0.000000 0.000000 7.755778\nBe Te Cl\n1 1 1\ndirect\n0.000000 0.000000 0.347133 Be\n0.000000 0.000000 0.058231 Te\n0.000000 0.000000 0.578704 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Te",
"Cl"
],
"chemical_system": "Be-Cl-Te",
"density": 2.9745307447989084,
"density_atomic": 0.031231843603868152,
"volume": 96.05580887413389,
"volume_molar": 19.282053395189713,
"formula_full": "Be1 Te1 Cl1",
"formula_reduced": "BeTeCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7071059780555556,
"spacegroup": 99
},
{
"id": "jvasp-43556",
"created_at": "2022-09-04T14:36:17.850244Z",
"updated_at": "2022-09-04T14:36:17.850270Z",
"structure_string": "Li5 Fe1 F8\n1.0\n4.102177 2.843740 0.000000\n-4.102177 2.843740 0.000000\n0.000000 0.000000 5.803552\nLi Fe F\n5 1 8\ndirect\n-0.000000 0.500000 0.230482 Li\n-0.000000 0.500000 0.769517 Li\n0.500000 0.500000 0.000000 Li\n0.500000 -0.000000 0.230482 Li\n0.500000 -0.000000 0.769517 Li\n0.500000 0.500000 0.500000 Fe\n0.264842 0.735158 0.000000 F\n0.269946 0.730055 0.500000 F\n0.273951 0.273951 0.266375 F\n0.726049 0.726049 0.266375 F\n0.273951 0.273951 0.733625 F\n0.726049 0.726049 0.733625 F\n0.730055 0.269946 0.500000 F\n0.735158 0.264842 0.000000 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 2.9743998117850903,
"density_atomic": 0.10339508101055962,
"volume": 135.40295982330335,
"volume_molar": 5.824397738403983,
"formula_full": "Li5 Fe1 F8",
"formula_reduced": "Li5FeF8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 0.3039112685714286,
"spacegroup": 65
},
{
"id": "jvasp-51351",
"created_at": "2022-09-04T14:36:52.894035Z",
"updated_at": "2022-09-04T14:36:52.894067Z",
"structure_string": "Al4 C3\n1.0\n-3.187027 -0.009497 0.000971\n1.182665 4.925845 -0.024266\n-0.331773 -2.251916 -5.112723\nAl C\n4 3\ndirect\n0.041355 0.166595 0.751066 Al\n0.638792 0.211628 0.206909 Al\n0.258509 0.661903 0.692217 Al\n0.941285 0.749544 0.228082 Al\n0.076334 0.984394 0.003698 C\n0.624052 0.346853 0.615262 C\n0.491247 0.947020 0.481974 C\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Al",
"C"
],
"chemical_system": "Al-C",
"density": 2.9740042292378575,
"density_atomic": 0.08708712479946874,
"volume": 80.37927553721124,
"volume_molar": 6.915075878170153,
"formula_full": "Al4 C3",
"formula_reduced": "Al4C3",
"formula_anonymous": "A3B4",
"energy_above_hull": 4.077694457142857,
"spacegroup": 1
},
{
"id": "jvasp-116326",
"created_at": "2022-09-04T14:38:42.351422Z",
"updated_at": "2022-09-04T14:38:42.351447Z",
"structure_string": "Mg1 Ti1 O3\n1.0\n2.635892 -2.671050 -0.157483\n2.635892 2.671050 -0.157483\n-1.108711 0.000000 4.831353\nMg Ti O\n1 1 3\ndirect\n0.442895 0.442895 0.718231 Mg\n0.033676 0.033676 0.016818 Ti\n0.495827 -0.014073 0.888504 O\n-0.014073 0.495827 0.888504 O\n0.155034 0.155034 0.374593 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"O"
],
"chemical_system": "Mg-O-Ti",
"density": 2.9739462093253017,
"density_atomic": 0.07451732081420577,
"volume": 67.0984939523861,
"volume_molar": 8.081531507305556,
"formula_full": "Mg1 Ti1 O3",
"formula_reduced": "MgTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5650415766666663,
"spacegroup": 8
},
{
"id": "jvasp-106453",
"created_at": "2022-09-04T14:36:46.495837Z",
"updated_at": "2022-09-04T14:36:46.495869Z",
"structure_string": "Na2 Al1 Hg1 Cl6\n1.0\n6.294766 -0.000000 3.634285\n2.098255 5.934762 3.634285\n-0.000000 -0.000000 7.268570\nNa Al Hg Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Al\n0.500001 0.500000 0.499999 Hg\n0.772860 0.227140 0.227139 Cl\n0.227141 0.227140 0.772859 Cl\n0.227141 0.772859 0.772859 Cl\n0.227141 0.772859 0.227139 Cl\n0.772860 0.227140 0.772859 Cl\n0.772861 0.772859 0.227139 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Al",
"Hg",
"Cl"
],
"chemical_system": "Al-Cl-Hg-Na",
"density": 2.973677558207323,
"density_atomic": 0.036827151216678816,
"volume": 271.5387878134612,
"volume_molar": 16.352448020124363,
"formula_full": "Na2 Al1 Hg1 Cl6",
"formula_reduced": "Na2AlHgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-97936",
"created_at": "2022-09-04T14:36:11.383665Z",
"updated_at": "2022-09-04T14:36:11.383692Z",
"structure_string": "In4 H28 N8 O4 F16\n1.0\n6.818044 0.000000 0.000000\n0.000000 8.542216 0.000000\n0.000000 0.000000 9.276555\nIn H N O F\n4 28 8 4 16\ndirect\n0.863276 0.709277 0.451309 In\n0.636724 0.290723 0.951309 In\n0.363276 0.790724 0.548690 In\n0.136724 0.209277 0.048691 In\n0.782712 0.786748 0.785325 H\n0.717287 0.213252 0.285326 H\n0.282712 0.713252 0.214674 H\n0.217287 0.286748 0.714674 H\n0.739440 0.781410 0.964711 H\n0.239441 0.718591 0.035288 H\n0.915936 0.178853 0.689230 H\n0.260559 0.281410 0.535288 H\n0.911317 0.905364 0.895023 H\n0.411317 0.594637 0.104977 H\n0.088682 0.405364 0.604977 H\n0.760559 0.218591 0.464711 H\n0.584063 0.821148 0.189230 H\n0.588682 0.094637 0.395023 H\n0.084063 0.678853 0.810770 H\n0.415936 0.321147 0.310770 H\n-0.001641 0.478992 0.254020 H\n0.501641 0.521009 0.754019 H\n0.498359 0.021009 0.745980 H\n0.001641 0.978992 0.245980 H\n0.732300 0.493289 0.716167 H\n0.767699 0.506711 0.216167 H\n0.232301 0.006711 0.283833 H\n0.947282 0.573046 0.917192 H\n0.552717 0.426954 0.417192 H\n0.447282 0.926955 0.082807 H\n0.052717 0.073046 0.582807 H\n0.267699 0.993289 0.783832 H\n0.650865 0.205701 0.386441 N\n0.150865 0.294299 0.613559 N\n0.849134 0.794299 0.886440 N\n0.349135 0.705701 0.113559 N\n0.508660 0.817528 0.093048 N\n0.491340 0.317528 0.406952 N\n0.008660 0.682472 0.906952 N\n0.991339 0.182472 0.593047 N\n0.869864 0.516893 0.293060 O\n0.630136 0.483108 0.793060 O\n0.369864 0.983108 0.706939 O\n0.130136 0.016893 0.206939 O\n0.829224 0.188941 0.117329 F\n0.670775 0.811060 0.617328 F\n0.108594 0.026854 0.899702 F\n0.391406 0.973147 0.399702 F\n0.608594 0.473146 0.100297 F\n0.891406 0.526854 0.600297 F\n0.184363 0.397923 0.185430 F\n0.446741 0.153409 0.095973 F\n0.684363 0.102077 0.814570 F\n0.815637 0.897923 0.314570 F\n0.053259 0.846592 0.595972 F\n0.946740 0.346591 0.904027 F\n0.553259 0.653409 0.404027 F\n0.170775 0.688941 0.382671 F\n0.315637 0.602077 0.685429 F\n0.329225 0.311060 0.882671 F\n",
"nsites": 60,
"nelements": 5,
"elements": [
"In",
"H",
"N",
"O",
"F"
],
"chemical_system": "F-H-In-N-O",
"density": 2.9736644676913255,
"density_atomic": 0.11105399290988525,
"volume": 540.2777372326179,
"volume_molar": 5.422714305181863,
"formula_full": "In4 H28 N8 O4 F16",
"formula_reduced": "InH7N2OF4",
"formula_anonymous": "ABC2D4E7",
"energy_above_hull": 2.3737327400000003,
"spacegroup": 19
},
{
"id": "jvasp-49886",
"created_at": "2022-09-04T14:37:18.128212Z",
"updated_at": "2022-09-04T14:37:18.128233Z",
"structure_string": "Ti4 O8\n1.0\n3.704875 0.000000 0.000000\n0.000000 5.605794 0.000000\n0.000000 0.000000 8.589952\nTi O\n4 8\ndirect\n0.500060 0.148797 0.629692 Ti\n0.000059 0.351203 0.370308 Ti\n0.499941 0.648797 0.870308 Ti\n-0.000059 0.851202 0.129692 Ti\n0.000054 0.142402 0.562143 O\n0.500004 0.332825 0.798210 O\n0.000004 0.167174 0.201790 O\n0.500054 0.357598 0.437857 O\n-0.000054 0.642402 0.937857 O\n0.499997 0.832825 0.701790 O\n-0.000004 0.667174 0.298210 O\n0.499947 0.857597 0.062143 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 2.9735038412273065,
"density_atomic": 0.0672635546947245,
"volume": 178.40270343222232,
"volume_molar": 8.953051600278151,
"formula_full": "Ti4 O8",
"formula_reduced": "TiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5042451111111117,
"spacegroup": 62
},
{
"id": "jvasp-105686",
"created_at": "2022-09-04T14:35:53.674833Z",
"updated_at": "2022-09-04T14:35:53.674850Z",
"structure_string": "Rb3 Er1 Cl6\n1.0\n6.885521 0.000000 3.975357\n2.295173 6.491732 3.975357\n-0.000000 0.000000 7.950715\nRb Er 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 Er\n0.769535 0.230464 0.230465 Cl\n0.230464 0.230464 0.769535 Cl\n0.230464 0.769535 0.769536 Cl\n0.230464 0.769535 0.230465 Cl\n0.769535 0.230464 0.769536 Cl\n0.769535 0.769535 0.230465 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Er",
"Cl"
],
"chemical_system": "Cl-Er-Rb",
"density": 2.9734614819253053,
"density_atomic": 0.028138207265309436,
"volume": 355.3886680026212,
"volume_molar": 21.40200583220693,
"formula_full": "Rb3 Er1 Cl6",
"formula_reduced": "Rb3ErCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-43770",
"created_at": "2022-09-04T14:35:48.550874Z",
"updated_at": "2022-09-04T14:35:48.550898Z",
"structure_string": "Li4 Fe4 F16\n1.0\n5.124199 4.478784 -0.192790\n-5.124199 4.478784 0.192790\n-2.254509 0.000000 6.838946\nLi Fe F\n4 4 16\ndirect\n0.257962 0.742037 0.891469 Li\n0.237490 0.237490 0.500000 Li\n0.762509 0.762509 0.500000 Li\n0.742037 0.257962 0.108531 Li\n0.212683 0.787316 0.374229 Fe\n0.196210 0.196210 -0.000000 Fe\n0.803789 0.803789 -0.000000 Fe\n0.787316 0.212683 0.625771 Fe\n0.469496 0.189016 0.023724 F\n0.810983 0.530503 0.023724 F\n0.817168 0.490096 0.608416 F\n0.509903 0.182831 0.608416 F\n0.892446 0.804000 0.281093 F\n0.195999 0.107553 0.281093 F\n0.804000 0.892446 0.718908 F\n0.189016 0.469496 0.976277 F\n0.182831 0.509903 0.391584 F\n0.490096 0.817168 0.391584 F\n0.863195 0.136804 0.949956 F\n0.530503 0.810983 0.976277 F\n0.136804 0.863195 0.050045 F\n0.186222 0.813777 0.617807 F\n0.107553 0.195999 0.718908 F\n0.813777 0.186222 0.382194 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 2.9733747863575486,
"density_atomic": 0.07741518141143586,
"volume": 310.01671199926545,
"volume_molar": 7.779017823383157,
"formula_full": "Li4 Fe4 F16",
"formula_reduced": "LiFeF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.2360994383333332,
"spacegroup": 12
},
{
"id": "jvasp-94060",
"created_at": "2022-09-04T14:35:56.519816Z",
"updated_at": "2022-09-04T14:35:56.519837Z",
"structure_string": "Mg6 Nb1 V1\n1.0\n6.249031 0.192212 0.000000\n-2.958056 5.123502 0.000000\n0.000000 0.000000 4.964860\nMg Nb V\n6 1 1\ndirect\n0.654022 0.327574 0.250000 Mg\n0.654022 0.826447 0.250000 Mg\n0.330268 0.162636 0.750000 Mg\n0.330267 0.667632 0.750000 Mg\n0.863336 0.181669 0.750000 Mg\n0.855384 0.677692 0.750000 Mg\n0.153233 0.826616 0.250000 Nb\n0.159466 0.329732 0.250000 V\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"V"
],
"chemical_system": "Mg-Nb-V",
"density": 2.973261306616571,
"density_atomic": 0.0494491277301373,
"volume": 161.7824290786087,
"volume_molar": 12.178457005076233,
"formula_full": "Mg6 Nb1 V1",
"formula_reduced": "Mg6NbV",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.7263822375,
"spacegroup": 38
},
{
"id": "jvasp-42204",
"created_at": "2022-09-04T14:38:17.856316Z",
"updated_at": "2022-09-04T14:38:17.856344Z",
"structure_string": "Na6 V2 B2 P2 O14\n1.0\n0.000000 5.244859 -0.003128\n6.534664 0.000000 0.000000\n0.000000 -0.215833 -8.919875\nNa V B P O\n6 2 2 2 14\ndirect\n0.237892 0.750000 0.073433 Na\n0.750513 0.996628 0.255551 Na\n0.750513 0.503371 0.255551 Na\n0.249487 0.496629 0.744450 Na\n0.249487 0.003371 0.744450 Na\n0.762109 0.250000 0.926568 Na\n0.221322 0.250000 0.333839 V\n0.778679 0.750000 0.666162 V\n0.726627 0.750000 0.935868 B\n0.273374 0.250000 0.064133 B\n0.282689 0.750000 0.421677 P\n0.717312 0.250000 0.578323 P\n0.527209 0.750000 0.825996 O\n0.787145 0.061452 0.677184 O\n0.787145 0.438547 0.677184 O\n0.426779 0.250000 0.539317 O\n0.128159 0.750000 0.566468 O\n0.871842 0.250000 0.433533 O\n0.690151 0.750000 0.084143 O\n0.212856 0.561452 0.322816 O\n0.212856 0.938547 0.322816 O\n0.472792 0.250000 0.174004 O\n0.035754 0.250000 0.132866 O\n0.964247 0.750000 0.867135 O\n0.573222 0.750000 0.460684 O\n0.309850 0.250000 0.915858 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Na",
"V",
"B",
"P",
"O"
],
"chemical_system": "B-Na-O-P-V",
"density": 2.97315863272944,
"density_atomic": 0.08504547931558316,
"volume": 305.718777873193,
"volume_molar": 7.081082743567468,
"formula_full": "Na6 V2 B2 P2 O14",
"formula_reduced": "Na3VBPO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.328748752564102,
"spacegroup": 11
},
{
"id": "jvasp-47105",
"created_at": "2022-09-04T14:38:04.360486Z",
"updated_at": "2022-09-04T14:38:04.360497Z",
"structure_string": "Li1 Mn1 P1 O4\n1.0\n0.000000 4.825903 -0.000000\n2.412950 -2.412950 3.761581\n4.825903 -0.000000 0.000000\nLi Mn P O\n1 1 1 4\ndirect\n0.500000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.750000 0.500000 0.750000 P\n0.451534 0.264231 0.060983 O\n0.674788 0.735769 0.451534 O\n0.812697 0.264231 0.674788 O\n0.060983 0.735769 0.812697 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.9730838135983366,
"density_atomic": 0.0799043540643659,
"volume": 87.60473796410696,
"volume_molar": 7.536686618039542,
"formula_full": "Li1 Mn1 P1 O4",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.547000963054187,
"spacegroup": 82
}
]
}