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=-nsites&page=1260",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=1258",
"results": [
{
"id": "jvasp-42610",
"created_at": "2022-09-04T14:37:29.092830Z",
"updated_at": "2022-09-04T14:37:29.092864Z",
"structure_string": "Co4 S8\n1.0\n0.000000 5.519935 -0.000621\n5.520493 0.000000 -0.000000\n0.000000 -0.000624 -5.520403\nCo S\n4 8\ndirect\n0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 -0.000000 Co\n0.500000 -0.000000 0.500000 Co\n0.387311 0.387326 0.612670 S\n0.387311 0.112674 0.112670 S\n0.887310 0.112674 0.387329 S\n0.112689 0.612674 0.112671 S\n0.612689 0.887326 0.887329 S\n0.112690 0.887326 0.612671 S\n0.887311 0.387326 0.887328 S\n0.612689 0.612673 0.387329 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Co",
"S"
],
"chemical_system": "Co-S",
"density": 4.8590868206324345,
"density_atomic": 0.07133433714854004,
"volume": 168.22193181682348,
"volume_molar": 8.442134602666947,
"formula_full": "Co4 S8",
"formula_reduced": "CoS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.9455903,
"spacegroup": 205
},
{
"id": "jvasp-50798",
"created_at": "2022-09-04T14:37:07.631004Z",
"updated_at": "2022-09-04T14:37:07.631013Z",
"structure_string": "Tb2 Ce2 O8\n1.0\n-0.201037 0.000000 5.454086\n2.626176 -5.440391 2.827675\n2.626176 5.440391 2.827675\nTb Ce O\n2 2 8\ndirect\n0.250000 0.374997 0.125003 Tb\n0.750001 0.625004 0.874998 Tb\n0.750001 0.125002 0.374998 Ce\n0.250000 0.874999 0.625003 Ce\n0.246537 0.000008 0.000021 O\n0.253464 0.499980 0.499993 O\n0.746589 0.753450 0.253431 O\n0.753413 0.246570 0.746551 O\n0.246588 0.753431 0.253450 O\n0.253413 0.246551 0.746570 O\n0.746538 0.500021 0.500008 O\n0.753464 -0.000008 -0.000021 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tb",
"Ce",
"O"
],
"chemical_system": "Ce-O-Tb",
"density": 7.440863671153299,
"density_atomic": 0.07405805093774243,
"volume": 162.03505018094398,
"volume_molar": 8.131649002027567,
"formula_full": "Tb2 Ce2 O8",
"formula_reduced": "TbCeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.896301316666667,
"spacegroup": 141
},
{
"id": "jvasp-28583",
"created_at": "2022-09-04T14:37:29.106372Z",
"updated_at": "2022-09-04T14:37:29.106383Z",
"structure_string": "Te2 Mo3 W1 Se2 S4\n1.0\n3.311079 0.000000 0.000000\n-1.655539 2.867502 -0.000003\n0.000000 -0.000035 37.445460\nTe Mo W Se S\n2 3 1 2 4\ndirect\n0.333357 0.666715 0.708535 Te\n0.333361 0.666722 0.606412 Te\n0.333311 0.666623 0.093936 Mo\n0.666690 0.333378 0.281803 Mo\n0.666691 0.333380 0.657574 Mo\n0.333311 0.666622 0.469633 W\n0.666641 0.333279 0.049236 Se\n0.666646 0.333290 0.138771 Se\n0.333356 0.666713 0.322645 S\n0.666643 0.333285 0.428617 S\n0.666645 0.333288 0.510637 S\n0.333354 0.666709 0.240949 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 4.731547986172876,
"density_atomic": 0.033752722098169305,
"volume": 355.52688062012226,
"volume_molar": 17.841940992150768,
"formula_full": "Te2 Mo3 W1 Se2 S4",
"formula_reduced": "Te2Mo3W(SeS2)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 3.821176663888889,
"spacegroup": 156
},
{
"id": "jvasp-54817",
"created_at": "2022-09-04T14:37:29.146128Z",
"updated_at": "2022-09-04T14:37:29.146154Z",
"structure_string": "Y4 Re8\n1.0\n2.713324 -4.699616 -0.000000\n2.713324 4.699616 0.000000\n0.000000 0.000000 8.850290\nY Re\n4 8\ndirect\n0.666666 0.333332 0.437639 Y\n0.333332 0.666666 0.562361 Y\n0.333332 0.666666 0.937639 Y\n0.666666 0.333332 0.062361 Y\n0.829013 0.170985 0.750000 Re\n0.341973 0.170986 0.750000 Re\n0.170986 0.341973 0.250000 Re\n0.170985 0.829013 0.250000 Re\n0.829012 0.658026 0.750000 Re\n0.000000 0.000000 0.000000 Re\n0.658026 0.829012 0.250000 Re\n0.000000 0.000000 0.500000 Re\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Y",
"Re"
],
"chemical_system": "Re-Y",
"density": 13.575620960215847,
"density_atomic": 0.05316547750226577,
"volume": 225.71037755634924,
"volume_molar": 11.327163871975667,
"formula_full": "Y4 Re8",
"formula_reduced": "YRe2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.872043816666667,
"spacegroup": 194
},
{
"id": "jvasp-9695",
"created_at": "2022-09-04T14:37:07.587354Z",
"updated_at": "2022-09-04T14:37:07.587371Z",
"structure_string": "Li5 Re1 O6\n1.0\n4.950251 0.005627 -0.859568\n-1.314149 4.173728 -2.510683\n0.002548 -0.000476 5.044851\nLi Re O\n5 1 6\ndirect\n0.000000 0.333695 0.666305 Li\n0.000000 0.666305 0.333696 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.178185 0.821814 Li\n0.500000 0.821815 0.178186 Li\n0.000000 0.000000 0.000000 Re\n0.235703 0.386941 0.077751 O\n0.235703 0.077751 0.386941 O\n0.764297 0.922250 0.613059 O\n0.764297 0.613059 0.922249 O\n0.771065 0.230877 0.230877 O\n0.228935 0.769123 0.769123 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Re",
"O"
],
"chemical_system": "Li-O-Re",
"density": 5.04680690049055,
"density_atomic": 0.11508403647412224,
"volume": 104.27162939056552,
"volume_molar": 5.2328202455378205,
"formula_full": "Li5 Re1 O6",
"formula_reduced": "Li5ReO6",
"formula_anonymous": "AB5C6",
"energy_above_hull": 2.3489107500000004,
"spacegroup": 12
},
{
"id": "jvasp-9125",
"created_at": "2022-09-04T14:37:07.705363Z",
"updated_at": "2022-09-04T14:37:07.705397Z",
"structure_string": "Pb4 F8\n1.0\n3.897906 -0.000000 0.000000\n-0.000000 6.455488 0.000000\n0.000000 0.000000 7.683951\nPb F\n4 8\ndirect\n0.250000 0.754640 0.606807 Pb\n0.750001 0.245360 0.393193 Pb\n0.250000 0.254640 0.893193 Pb\n0.750001 0.745360 0.106807 Pb\n0.250000 0.973238 0.342396 F\n0.750001 0.026762 0.657604 F\n0.250000 0.473238 0.157604 F\n0.750001 0.526762 0.842395 F\n0.750001 0.140750 0.066945 F\n0.250000 0.859250 0.933055 F\n0.750001 0.640751 0.433055 F\n0.250000 0.359250 0.566945 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pb",
"F"
],
"chemical_system": "F-Pb",
"density": 8.423234114206394,
"density_atomic": 0.06206349371243028,
"volume": 193.35037849467054,
"volume_molar": 9.703193294118192,
"formula_full": "Pb4 F8",
"formula_reduced": "PbF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-21817",
"created_at": "2022-09-04T14:37:29.112665Z",
"updated_at": "2022-09-04T14:37:29.112692Z",
"structure_string": "Tb4 Ga4 Pd4\n1.0\n4.464409 -0.000000 0.000000\n-0.000000 6.933454 0.000000\n0.000000 0.000000 7.662340\nTb Ga Pd\n4 4 4\ndirect\n0.250000 0.483925 0.200636 Tb\n0.750000 0.516074 0.799364 Tb\n0.250000 0.983925 0.299364 Tb\n0.750000 0.016074 0.700636 Tb\n0.250000 0.820834 0.922251 Ga\n0.750000 0.179165 0.077749 Ga\n0.250000 0.320834 0.577749 Ga\n0.750000 0.679165 0.422251 Ga\n0.750000 0.780760 0.094168 Pd\n0.250000 0.219239 0.905832 Pd\n0.750000 0.280760 0.405832 Pd\n0.250000 0.719239 0.594168 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tb",
"Ga",
"Pd"
],
"chemical_system": "Ga-Pd-Tb",
"density": 9.383556284209671,
"density_atomic": 0.05059483844930881,
"volume": 237.1783440325213,
"volume_molar": 11.902678108229576,
"formula_full": "Tb4 Ga4 Pd4",
"formula_reduced": "TbGaPd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4856321416666666,
"spacegroup": 62
},
{
"id": "jvasp-21808",
"created_at": "2022-09-04T14:37:29.174002Z",
"updated_at": "2022-09-04T14:37:29.174018Z",
"structure_string": "Mn8 Nb4\n1.0\n2.403314 -4.162663 0.000000\n2.403314 4.162663 -0.000000\n-0.000000 0.000000 7.900590\nMn Nb\n8 4\ndirect\n0.171341 0.828657 0.250000 Mn\n0.828657 0.657315 0.750000 Mn\n0.342684 0.171342 0.750000 Mn\n0.657315 0.828657 0.250000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.828657 0.171341 0.750000 Mn\n0.171342 0.342684 0.250000 Mn\n0.333332 0.666666 0.562409 Nb\n0.666666 0.333332 0.062409 Nb\n0.666666 0.333332 0.437591 Nb\n0.333332 0.666666 0.937591 Nb\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mn",
"Nb"
],
"chemical_system": "Mn-Nb",
"density": 8.52056135259191,
"density_atomic": 0.07591191660293438,
"volume": 158.0779479296685,
"volume_molar": 7.933063779036785,
"formula_full": "Mn8 Nb4",
"formula_reduced": "Mn2Nb",
"formula_anonymous": "AB2",
"energy_above_hull": 4.086154627586208,
"spacegroup": 194
},
{
"id": "jvasp-10993",
"created_at": "2022-09-04T14:37:19.983348Z",
"updated_at": "2022-09-04T14:37:19.983381Z",
"structure_string": "Sr2 Pd2 F8\n1.0\n5.301052 0.000000 -2.515299\n-1.193486 5.164954 -2.515299\n-0.030076 -0.037818 6.780310\nSr Pd F\n2 2 8\ndirect\n0.249999 0.250000 0.499999 Sr\n0.749999 0.749999 0.499999 Sr\n-0.000000 0.500000 -0.000000 Pd\n0.500000 -0.000000 -0.000000 Pd\n0.962522 0.462523 0.264696 F\n0.697825 0.197826 0.735302 F\n0.037476 0.537476 0.735302 F\n0.197826 0.037477 0.735303 F\n0.302173 0.802173 0.264696 F\n0.462522 0.302173 0.264696 F\n0.802172 0.962522 0.264696 F\n0.537475 0.697825 0.735302 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Pd",
"F"
],
"chemical_system": "F-Pd-Sr",
"density": 4.857184541836092,
"density_atomic": 0.06499335112034198,
"volume": 184.63427093920342,
"volume_molar": 9.265779739298837,
"formula_full": "Sr2 Pd2 F8",
"formula_reduced": "SrPdF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-57433",
"created_at": "2022-09-04T14:37:07.665736Z",
"updated_at": "2022-09-04T14:37:07.665758Z",
"structure_string": "Ag5 P1 S4 Cl2\n1.0\n6.231094 0.000000 0.000000\n-3.115547 5.622860 0.000000\n0.000000 0.000000 7.416232\nAg P S Cl\n5 1 4 2\ndirect\n0.939666 0.611181 0.218650 Ag\n0.590558 0.000000 0.500000 Ag\n0.939666 0.611181 0.781349 Ag\n0.328485 0.388819 0.781349 Ag\n0.328485 0.388819 0.218650 Ag\n0.532912 0.000000 0.000000 P\n0.340714 0.000000 0.230463 S\n0.340714 0.000000 0.769536 S\n0.592540 0.707434 0.000000 S\n0.885105 0.292566 0.000000 S\n0.055794 0.336627 0.500000 Cl\n0.719166 0.663373 0.500000 Cl\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ag",
"P",
"S",
"Cl"
],
"chemical_system": "Ag-Cl-P-S",
"density": 4.917472990952675,
"density_atomic": 0.04618238584930198,
"volume": 259.83932573681386,
"volume_molar": 13.0399082880882,
"formula_full": "Ag5 P1 S4 Cl2",
"formula_reduced": "Ag5P(S2Cl)2",
"formula_anonymous": "AB2C4D5",
"energy_above_hull": 0.9303599945833332,
"spacegroup": 38
},
{
"id": "jvasp-30282",
"created_at": "2022-09-04T14:37:07.561833Z",
"updated_at": "2022-09-04T14:37:07.561858Z",
"structure_string": "Ti1 Co3 O8\n1.0\n4.663688 1.376979 -2.506509\n1.617923 -5.479743 -0.000000\n1.617923 -2.501020 -4.875702\nTi Co O\n1 3 8\ndirect\n0.000000 0.000000 0.000000 Ti\n-0.000000 -0.000000 0.500000 Co\n-0.000000 0.500000 0.000000 Co\n-0.000000 0.500000 0.500000 Co\n0.220602 0.246693 0.026092 O\n0.220602 0.246693 0.506612 O\n0.220602 0.727213 0.026092 O\n0.212138 0.737380 0.525241 O\n0.787861 0.262619 0.474758 O\n0.779398 0.272786 0.973908 O\n0.779398 0.753306 0.493388 O\n0.779398 0.753306 0.973908 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ti",
"Co",
"O"
],
"chemical_system": "Co-O-Ti",
"density": 4.7461861076701535,
"density_atomic": 0.0972564719143252,
"volume": 123.38510500947427,
"volume_molar": 6.19202058378696,
"formula_full": "Ti1 Co3 O8",
"formula_reduced": "TiCo3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.231075752777778,
"spacegroup": 166
},
{
"id": "jvasp-10546",
"created_at": "2022-09-04T14:37:09.549093Z",
"updated_at": "2022-09-04T14:37:09.549108Z",
"structure_string": "K4 Sn2 Se6\n1.0\n6.826645 -0.038524 -0.048026\n2.870415 6.982811 0.066107\n2.176570 1.349310 8.291698\nK Sn Se\n4 2 6\ndirect\n0.383547 0.789988 0.898325 K\n0.616453 0.210012 0.101675 K\n0.133286 0.476068 0.686360 K\n0.866714 0.523932 0.313640 K\n0.843157 0.065291 0.690174 Sn\n0.156843 0.934709 0.309826 Sn\n0.643495 0.414560 0.710181 Se\n0.767433 0.946395 0.453726 Se\n0.858842 0.803134 0.934498 Se\n0.356504 0.585441 0.289819 Se\n0.141158 0.196867 0.065502 Se\n0.232567 0.053605 0.546274 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Sn",
"Se"
],
"chemical_system": "K-Se-Sn",
"density": 3.6370159885025037,
"density_atomic": 0.030295019122354216,
"volume": 396.10471779320943,
"volume_molar": 19.87831971875653,
"formula_full": "K4 Sn2 Se6",
"formula_reduced": "K2SnSe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.3500779666666666,
"spacegroup": 2
}
]
}