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=updated_at&page=4362",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=4360",
"results": [
{
"id": "jvasp-112229",
"created_at": "2022-09-04T14:38:47.096501Z",
"updated_at": "2022-09-04T14:38:47.096531Z",
"structure_string": "Sn2 H24 C12 F4\n1.0\n4.315193 0.023491 -0.170052\n-1.674441 4.316298 -0.420864\n-0.307325 -0.007545 18.768178\nSn H C F\n2 24 12 4\ndirect\n0.409675 0.803358 0.471347 Sn\n0.980377 0.807029 0.962030 Sn\n0.036646 0.516338 0.072399 H\n0.724720 0.677027 0.087815 H\n0.145659 0.187259 0.131784 H\n0.471192 0.082954 0.099262 H\n0.836617 0.750143 0.610788 H\n0.778067 0.244240 0.567653 H\n0.366297 0.117826 0.593599 H\n0.679961 0.190083 0.722378 H\n0.060370 0.262927 0.684467 H\n0.096688 0.778102 0.735644 H\n0.149122 0.098708 0.798606 H\n0.448965 0.669723 0.645998 H\n0.398313 0.700071 0.187595 H\n0.057585 0.782375 0.218889 H\n0.820591 0.227354 0.353606 H\n0.762822 0.867782 0.304541 H\n0.192122 0.018903 0.367485 H\n0.500244 0.545269 0.762252 H\n0.183443 0.646881 0.334332 H\n0.557052 0.864118 0.825563 H\n0.005274 0.478348 0.840634 H\n0.603766 0.355588 0.871921 H\n0.762933 0.264923 0.224323 H\n0.424053 0.319400 0.264600 H\n0.845455 0.076707 0.700849 C\n0.234092 -0.007327 0.123530 C\n0.566835 0.040044 0.577600 C\n0.668676 0.859462 0.632865 C\n0.979766 0.728796 0.073216 C\n0.965185 0.921114 0.759849 C\n0.686980 0.721508 0.800872 C\n0.638404 0.030424 0.319290 C\n0.536771 0.145204 0.250339 C\n0.806191 0.556117 0.857338 C\n0.343292 0.874952 0.360824 C\n0.297031 0.886495 0.196379 C\n0.505696 0.900175 0.962414 F\n0.871503 0.708772 0.468859 F\n0.232978 0.343503 0.478488 F\n0.146915 0.269670 0.958255 F\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"F"
],
"chemical_system": "C-F-H-Sn",
"density": 2.285076804352849,
"density_atomic": 0.11997616679640338,
"volume": 350.0695273193131,
"volume_molar": 5.019447545960879,
"formula_full": "Sn2 H24 C12 F4",
"formula_reduced": "SnH12(C3F)2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 4.036221536428572,
"spacegroup": 1
},
{
"id": "jvasp-113740",
"created_at": "2022-09-04T14:38:47.097372Z",
"updated_at": "2022-09-04T14:38:47.097399Z",
"structure_string": "Ba2 Au1 O1\n1.0\n0.000000 3.766464 3.766464\n3.766464 -0.000000 3.766464\n3.766464 3.766464 0.000000\nBa Au O\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Au",
"O"
],
"chemical_system": "Au-Ba-O",
"density": 7.577032009854661,
"density_atomic": 0.037430750357263745,
"volume": 106.86400784973222,
"volume_molar": 16.088752436220812,
"formula_full": "Ba2 Au1 O1",
"formula_reduced": "Ba2AuO",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2831807525,
"spacegroup": 225
},
{
"id": "jvasp-117974",
"created_at": "2022-09-04T14:38:47.103061Z",
"updated_at": "2022-09-04T14:38:47.103090Z",
"structure_string": "Ca1 Ga1 H1\n1.0\n4.016158 0.131141 0.000000\n-0.153120 4.693865 0.000000\n0.000000 0.000000 3.569872\nCa Ga H\n1 1 1\ndirect\n0.417217 -0.162445 0.000000 Ca\n-0.082754 0.369516 0.000000 Ga\n-0.082790 0.005698 0.000000 H\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"H"
],
"chemical_system": "Ca-Ga-H",
"density": 2.7312880626412563,
"density_atomic": 0.04453124768186797,
"volume": 67.36842455958238,
"volume_molar": 13.523404515908203,
"formula_full": "Ca1 Ga1 H1",
"formula_reduced": "CaGaH",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4835942483333336,
"spacegroup": 25
},
{
"id": "jvasp-120289",
"created_at": "2022-09-04T14:38:47.103466Z",
"updated_at": "2022-09-04T14:38:47.103495Z",
"structure_string": "Li1 Nb1 Se2\n1.0\n1.780686 1.028080 6.837533\n-1.780686 1.028080 6.837533\n0.000000 -2.056159 6.837533\nLi Nb Se\n1 1 2\ndirect\n0.499999 0.499999 0.499999 Li\n0.000000 0.000000 0.000000 Nb\n0.749575 0.749575 0.749575 Se\n0.250424 0.250424 0.250424 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Nb",
"Se"
],
"chemical_system": "Li-Nb-Se",
"density": 5.699178442037161,
"density_atomic": 0.053259267803654566,
"volume": 75.10429949481068,
"volume_molar": 11.30721658097367,
"formula_full": "Li1 Nb1 Se2",
"formula_reduced": "LiNbSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9947615333333333,
"spacegroup": 166
},
{
"id": "jvasp-111336",
"created_at": "2022-09-04T14:38:47.108021Z",
"updated_at": "2022-09-04T14:38:47.108032Z",
"structure_string": "Ti3 Nb1 Al2 C2\n1.0\n3.077924 -0.000000 0.000000\n-1.538962 2.665560 0.000000\n0.000000 0.000000 13.792204\nTi Nb Al C\n3 1 2 2\ndirect\n0.333333 0.666667 0.587307 Ti\n0.333333 0.666667 0.915955 Ti\n0.666666 0.333333 0.082828 Ti\n0.666666 0.333333 0.410891 Nb\n0.666666 0.333333 0.751986 Al\n0.333333 0.666667 0.246045 Al\n0.000000 0.000000 0.505855 C\n0.000000 0.000000 0.999134 C\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ti",
"Nb",
"Al",
"C"
],
"chemical_system": "Al-C-Nb-Ti",
"density": 4.61507194627828,
"density_atomic": 0.07069846102869334,
"volume": 113.15663571167636,
"volume_molar": 8.518064852296973,
"formula_full": "Ti3 Nb1 Al2 C2",
"formula_reduced": "Ti3Nb(AlC)2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 4.63169,
"spacegroup": 156
},
{
"id": "jvasp-115571",
"created_at": "2022-09-04T14:38:47.114077Z",
"updated_at": "2022-09-04T14:38:47.114103Z",
"structure_string": "Ba1 Sn1 F1\n1.0\n5.558715 0.000000 0.000000\n-2.779358 4.813989 -0.000000\n0.000000 -0.000000 3.655653\nBa Sn F\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666668 0.333334 0.000000 Sn\n0.333334 0.666668 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"F"
],
"chemical_system": "Ba-F-Sn",
"density": 4.668670583109175,
"density_atomic": 0.03066738801203627,
"volume": 97.8237859325537,
"volume_molar": 19.63695361873154,
"formula_full": "Ba1 Sn1 F1",
"formula_reduced": "BaSnF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1274362783333333,
"spacegroup": 187
},
{
"id": "jvasp-107545",
"created_at": "2022-09-04T14:38:47.116200Z",
"updated_at": "2022-09-04T14:38:47.116220Z",
"structure_string": "Mn1 Cu2 Sb1 O4\n1.0\n3.291403 -0.000000 0.000000\n-1.645701 2.850439 0.000000\n-0.000000 -0.000000 11.735024\nMn Cu Sb O\n1 2 1 4\ndirect\n0.000000 0.000000 0.500000 Mn\n0.333333 0.666667 0.268302 Cu\n0.666666 0.333333 0.731698 Cu\n0.000000 0.000000 0.000000 Sb\n0.333333 0.666667 0.423292 O\n0.666666 0.333333 0.576707 O\n0.666666 0.333333 0.888765 O\n0.333333 0.666667 0.111235 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Mn",
"Cu",
"Sb",
"O"
],
"chemical_system": "Cu-Mn-O-Sb",
"density": 5.547143990111987,
"density_atomic": 0.07266297797684144,
"volume": 110.09733185652941,
"volume_molar": 8.287770371755654,
"formula_full": "Mn1 Cu2 Sb1 O4",
"formula_reduced": "MnCu2SbO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.003897280172414,
"spacegroup": 164
},
{
"id": "jvasp-115585",
"created_at": "2022-09-04T14:38:47.118370Z",
"updated_at": "2022-09-04T14:38:47.118386Z",
"structure_string": "Ba2 Zr1 O3\n1.0\n-1.970250 2.127508 6.918195\n1.970250 -2.127508 6.918195\n1.970250 2.127508 -6.918195\nBa Zr O\n2 1 3\ndirect\n0.649347 0.649347 0.000000 Ba\n0.350654 0.350654 0.000000 Ba\n0.000000 0.000000 0.000000 Zr\n0.848353 0.848353 0.000000 O\n0.151647 0.151647 0.000000 O\n0.500001 0.000000 0.500001 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"O"
],
"chemical_system": "Ba-O-Zr",
"density": 5.924807193381293,
"density_atomic": 0.0517256458429834,
"volume": 115.99661835472088,
"volume_molar": 11.642466056935481,
"formula_full": "Ba2 Zr1 O3",
"formula_reduced": "Ba2ZrO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.565007823333333,
"spacegroup": 71
},
{
"id": "jvasp-119310",
"created_at": "2022-09-04T14:38:47.119118Z",
"updated_at": "2022-09-04T14:38:47.119146Z",
"structure_string": "Li2 Fe2 Mo4 O16\n1.0\n6.227524 -0.087205 -2.227214\n-2.067194 6.864443 -0.094783\n-0.035693 0.015516 6.943695\nLi Fe Mo O\n2 2 4 16\ndirect\n0.775171 0.447011 0.274694 Li\n0.224830 0.552990 0.725307 Li\n0.407934 0.096261 0.326018 Fe\n0.592066 0.903740 0.673983 Fe\n0.820559 0.964005 0.227521 Mo\n0.334814 0.573778 0.285409 Mo\n0.179442 0.035996 0.772479 Mo\n0.665187 0.426223 0.714592 Mo\n0.294172 0.282287 0.740503 O\n0.123314 0.049464 0.362606 O\n0.097413 0.482604 0.348588 O\n0.759777 0.962360 0.958955 O\n0.470928 0.374007 0.342190 O\n0.239759 0.571953 0.023075 O\n0.902588 0.517397 0.651413 O\n0.876687 0.950536 0.637395 O\n0.684143 0.136151 0.279354 O\n0.419827 0.845855 0.387381 O\n0.760242 0.428048 0.976925 O\n0.705828 0.717714 0.259498 O\n0.240223 0.037641 0.041046 O\n0.580174 0.154146 0.612619 O\n0.529073 0.625993 0.657810 O\n0.315858 0.863850 0.720647 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Mo",
"O"
],
"chemical_system": "Fe-Li-Mo-O",
"density": 4.306275372609101,
"density_atomic": 0.08132414716977425,
"volume": 295.11529890251444,
"volume_molar": 7.405107793418398,
"formula_full": "Li2 Fe2 Mo4 O16",
"formula_reduced": "LiFe(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.430024608333333,
"spacegroup": 2
},
{
"id": "jvasp-117020",
"created_at": "2022-09-04T14:38:47.125272Z",
"updated_at": "2022-09-04T14:38:47.125299Z",
"structure_string": "La4 Fe2 Co2 O12\n1.0\n5.449357 0.000000 0.000000\n-0.000000 4.519595 3.131402\n-0.000000 0.114217 9.469786\nLa Fe Co O\n4 2 2 12\ndirect\n0.978545 0.245592 0.750599 La\n0.478544 0.754410 0.749400 La\n0.021456 0.754410 0.249400 La\n0.521456 0.245591 0.250599 La\n0.000000 0.500001 -0.000000 Fe\n0.500000 0.500001 0.500000 Fe\n0.000000 0.000000 0.500000 Co\n0.500000 0.000000 -0.000000 Co\n0.771485 0.189767 0.032862 O\n0.271485 0.810235 0.467138 O\n0.777026 0.762387 0.466887 O\n0.277026 0.237614 0.033113 O\n0.228516 0.810235 0.967138 O\n0.004841 0.690820 0.746986 O\n0.995160 0.309181 0.253014 O\n0.495160 0.690820 0.246986 O\n0.722975 0.762387 0.966887 O\n0.504841 0.309182 0.753014 O\n0.728516 0.189767 0.532862 O\n0.222974 0.237614 0.533113 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"La",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-La-O",
"density": 7.015832793306397,
"density_atomic": 0.08647479226849383,
"volume": 231.28127255746858,
"volume_molar": 6.964041892465004,
"formula_full": "La4 Fe2 Co2 O12",
"formula_reduced": "La2FeCoO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.72815774,
"spacegroup": 14
},
{
"id": "jvasp-117268",
"created_at": "2022-09-04T14:38:47.125318Z",
"updated_at": "2022-09-04T14:38:47.125345Z",
"structure_string": "Ca6 Sc2 Co2 O12\n1.0\n6.348228 0.007231 -0.266467\n-0.278189 6.342134 -0.266467\n0.006913 0.007231 6.353814\nCa Sc Co O\n6 2 2 12\ndirect\n0.380221 0.749999 0.119778 Ca\n0.750000 0.119778 0.380221 Ca\n0.119778 0.380221 0.749999 Ca\n0.880221 0.619778 0.249999 Ca\n0.250000 0.880221 0.619778 Ca\n0.619778 0.250000 0.880220 Ca\n0.250000 0.250000 0.250000 Sc\n0.750000 0.749999 0.749999 Sc\n0.500000 0.500000 0.499999 Co\n0.000000 0.000000 0.000000 Co\n0.791525 0.456830 0.587850 O\n0.543169 0.412148 0.208475 O\n0.412149 0.208475 0.543169 O\n0.456830 0.587851 0.791524 O\n0.043169 0.708475 0.912148 O\n0.087851 0.956830 0.291524 O\n0.956831 0.291524 0.087851 O\n0.708475 0.912148 0.043169 O\n0.912149 0.043169 0.708474 O\n0.291524 0.087851 0.956830 O\n0.208475 0.543169 0.412148 O\n0.587851 0.791524 0.456830 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ca",
"Sc",
"Co",
"O"
],
"chemical_system": "Ca-Co-O-Sc",
"density": 4.15533099674854,
"density_atomic": 0.08598784638576999,
"volume": 255.85011050632323,
"volume_molar": 7.003478995139242,
"formula_full": "Ca6 Sc2 Co2 O12",
"formula_reduced": "Ca3ScCoO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.8249207645454544,
"spacegroup": 167
},
{
"id": "jvasp-116894",
"created_at": "2022-09-04T14:38:47.125922Z",
"updated_at": "2022-09-04T14:38:47.125952Z",
"structure_string": "Li4 Nb3 Co3 Sn2 O16\n1.0\n5.858245 -0.060429 0.030493\n2.838717 5.124877 0.030493\n-0.029987 -0.017462 10.043654\nLi Nb Co Sn O\n4 3 3 2 16\ndirect\n0.337037 0.337038 0.093874 Li\n0.987732 0.987733 0.006308 Li\n0.978635 0.978636 0.512573 Li\n0.668940 0.668941 0.614684 Li\n0.178977 0.178978 0.785637 Nb\n0.839991 0.354283 0.286943 Nb\n0.354283 0.839992 0.286943 Nb\n0.166997 0.655162 0.785195 Co\n0.810074 0.810075 0.283713 Co\n0.655160 0.166997 0.785195 Co\n0.351500 0.351501 0.514940 Sn\n0.667385 0.667386 0.997201 Sn\n0.839677 0.839679 0.888791 O\n0.839226 0.313189 0.896091 O\n0.659413 0.659414 0.419642 O\n0.507772 0.973891 0.146014 O\n0.973890 0.507773 0.146014 O\n0.172669 0.172670 0.406448 O\n0.032659 0.487430 0.658176 O\n0.484834 0.484835 0.676629 O\n0.166957 0.680617 0.400228 O\n-0.000899 -0.000899 0.190690 O\n-0.004793 -0.004793 0.693634 O\n0.338713 0.338714 0.901364 O\n0.515288 0.515288 0.160750 O\n0.680616 0.166958 0.400228 O\n0.487428 0.032660 0.658176 O\n0.313188 0.839228 0.896091 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Nb",
"Co",
"Sn",
"O"
],
"chemical_system": "Co-Li-Nb-O-Sn",
"density": 5.34787262253355,
"density_atomic": 0.09232766616394018,
"volume": 303.26771122192383,
"volume_molar": 6.5225744462194895,
"formula_full": "Li4 Nb3 Co3 Sn2 O16",
"formula_reduced": "Li4Nb3Co3(SnO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 3.0682310821428573,
"spacegroup": 8
}
]
}