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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=289",
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"results": [
{
"id": "jvasp-46643",
"created_at": "2022-09-04T14:37:29.703913Z",
"updated_at": "2022-09-04T14:37:29.703938Z",
"structure_string": "Li4 Mn3 V3 Cr2 O16\n1.0\n5.705991 0.019026 -0.044594\n2.836196 4.972569 -0.036857\n0.073896 0.014813 9.392569\nLi Mn V Cr O\n4 3 3 2 16\ndirect\n0.664835 0.670313 0.892613 Li\n0.000409 0.999437 0.993517 Li\n0.997484 0.004924 0.497096 Li\n0.330913 0.338179 0.395187 Li\n0.833755 0.332587 0.212831 Mn\n0.655934 0.177053 0.713261 Mn\n0.166949 0.177043 0.713264 Mn\n0.349572 0.829332 0.214174 V\n0.176367 0.647190 0.712425 V\n0.821192 0.829345 0.214149 V\n0.665662 0.668641 0.490273 Cr\n0.331083 0.337915 0.987960 Cr\n0.169066 0.661992 0.102300 O\n0.663699 0.161285 0.098161 O\n0.338011 0.323916 0.597179 O\n0.038015 0.479889 0.844754 O\n0.482057 0.479917 0.844731 O\n0.830426 0.339098 0.601079 O\n0.519811 0.523324 0.341477 O\n0.515756 0.968593 0.347225 O\n0.335043 0.830749 0.601309 O\n0.997778 0.004342 0.806896 O\n0.000104 -0.000114 0.309812 O\n0.672694 0.654724 0.098016 O\n0.477487 0.044947 0.837154 O\n0.834137 0.830743 0.601324 O\n0.956890 0.523366 0.341484 O\n0.175189 0.161272 0.098193 O\n",
"nsites": 28,
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"elements": [
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"Mn",
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"Cr",
"O"
],
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"density": 4.403289224290886,
"density_atomic": 0.10525913130225527,
"volume": 266.01017558844393,
"volume_molar": 5.721252574949733,
"formula_full": "Li4 Mn3 V3 Cr2 O16",
"formula_reduced": "Li4Mn3V3Cr2O16",
"formula_anonymous": "A2B3C3D4E16",
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{
"id": "jvasp-33918",
"created_at": "2022-09-04T14:37:29.737230Z",
"updated_at": "2022-09-04T14:37:29.737250Z",
"structure_string": "Te7 Mo6 S5\n1.0\n-1.874302 -2.849931 -0.000011\n6.390096 -6.244171 0.167615\n-1.261188 2.870740 13.971628\nTe Mo S\n7 6 5\ndirect\n0.466773 0.173886 0.107464 Te\n0.915761 0.560035 0.391563 Te\n0.516615 0.844011 0.877225 Te\n0.232861 0.914506 0.380250 Te\n0.148496 0.819858 0.116877 Te\n0.427398 0.762011 0.616798 Te\n0.197819 0.491727 0.887332 Te\n0.308337 0.639298 0.256000 Mo\n0.700481 0.347448 0.748384 Mo\n0.629400 0.985429 0.244273 Mo\n0.035461 0.678599 0.749479 Mo\n0.968157 0.311664 0.248012 Mo\n0.354092 0.035111 0.743265 Mo\n0.107311 0.430284 0.644883 S\n0.560787 0.228763 0.350363 S\n0.846815 0.159561 0.853175 S\n0.820545 0.509065 0.150168 S\n0.762876 0.108747 0.634489 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.449423866377895,
"density_atomic": 0.0429120494509615,
"volume": 419.4626038677043,
"volume_molar": 14.033682466930196,
"formula_full": "Te7 Mo6 S5",
"formula_reduced": "Te7Mo6S5",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 3.5881166537037035,
"spacegroup": 8
},
{
"id": "jvasp-42614",
"created_at": "2022-09-04T14:37:30.042217Z",
"updated_at": "2022-09-04T14:37:30.042243Z",
"structure_string": "Mn6 O10 F2\n1.0\n-4.592608 4.592608 2.906505\n-0.088494 4.505868 -2.909721\n-4.505868 0.088494 -2.909721\nMn O F\n6 10 2\ndirect\n0.846897 0.673704 0.673704 Mn\n0.666020 0.329239 0.329239 Mn\n0.319406 0.655532 0.655532 Mn\n0.165011 0.330379 0.330379 Mn\n0.509121 0.006504 0.006504 Mn\n0.991951 0.004205 0.004205 Mn\n-0.001470 0.695094 0.304696 O\n-0.001470 0.304696 0.695094 O\n0.667913 0.640341 0.030830 O\n0.333523 0.965871 0.363708 O\n0.367567 0.435198 0.435198 O\n0.960987 0.229842 0.229842 O\n0.702664 0.104468 0.104468 O\n0.333523 0.363708 0.965871 O\n0.667913 0.030830 0.640341 O\n0.042037 0.765891 0.765891 O\n0.299906 0.894894 0.894894 F\n0.628510 0.569597 0.569597 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.948552969254248,
"density_atomic": 0.1016672652456704,
"volume": 177.04813792821628,
"volume_molar": 5.923382266108963,
"formula_full": "Mn6 O10 F2",
"formula_reduced": "Mn3O5F",
"formula_anonymous": "AB3C5",
"energy_above_hull": 3.023139945181992,
"spacegroup": 8
},
{
"id": "jvasp-42619",
"created_at": "2022-09-04T14:37:30.300157Z",
"updated_at": "2022-09-04T14:37:30.300181Z",
"structure_string": "Co6 O7 F5\n1.0\n-4.708285 4.708285 2.918127\n-0.248519 4.465137 -2.928515\n-4.465137 0.248519 -2.928515\nCo O F\n6 7 5\ndirect\n0.833243 0.667053 0.667053 Co\n0.325809 0.651950 0.651950 Co\n0.653228 0.335924 0.335924 Co\n0.181506 0.341448 0.341448 Co\n0.496791 0.996640 0.996640 Co\n0.001373 0.005114 0.005114 Co\n0.004693 0.701723 0.305151 O\n0.004693 0.305151 0.701723 O\n0.664331 0.637101 0.032145 O\n0.371335 0.432462 0.432462 O\n0.664331 0.032145 0.637101 O\n0.334138 0.359900 0.966316 O\n0.334138 0.966316 0.359900 O\n0.019470 0.766685 0.766685 F\n0.644437 0.571563 0.571563 F\n0.297007 0.886581 0.886581 F\n0.965496 0.244569 0.244569 F\n0.704003 0.097665 0.097665 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 5.341281815111333,
"density_atomic": 0.1032822971972815,
"volume": 174.2796247610358,
"volume_molar": 5.830757955060772,
"formula_full": "Co6 O7 F5",
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"formula_anonymous": "A5B6C7",
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"spacegroup": 8
},
{
"id": "jvasp-28535",
"created_at": "2022-09-04T14:37:30.468488Z",
"updated_at": "2022-09-04T14:37:30.468522Z",
"structure_string": "Te2 Mo1 W2 Se2 S2\n1.0\n3.362222 -0.000000 -0.000000\n-1.681111 2.901516 -0.176742\n-0.000000 -1.283682 20.182690\nTe Mo W Se S\n2 1 2 2 2\ndirect\n0.386156 0.772312 0.437893 Te\n0.303386 0.606775 0.247506 Te\n0.166083 0.332167 0.005578 Mo\n0.488835 0.977670 0.692782 W\n0.678418 0.356837 0.342667 W\n0.786528 0.573056 0.609390 Se\n0.858244 0.716487 0.775942 Se\n0.466683 0.933364 0.930085 S\n0.532272 0.064542 0.080999 S\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 7.965887495023552,
"density_atomic": 0.045887876338856874,
"volume": 196.13023565396492,
"volume_molar": 13.123598737779414,
"formula_full": "Te2 Mo1 W2 Se2 S2",
"formula_reduced": "Te2MoW2(SeS)2",
"formula_anonymous": "AB2C2D2E2",
"energy_above_hull": 3.927975351851851,
"spacegroup": 8
},
{
"id": "jvasp-44492",
"created_at": "2022-09-04T14:37:30.731247Z",
"updated_at": "2022-09-04T14:37:30.731267Z",
"structure_string": "Mn3 Cr2 Co3 O16\n1.0\n5.624928 -0.012678 -0.022173\n-2.823442 4.890179 0.000029\n-0.035792 -0.020590 8.652552\nMn Cr Co O\n3 2 3 16\ndirect\n0.662292 0.831154 0.213826 Mn\n0.831796 0.663108 0.713163 Mn\n0.831790 0.168701 0.713168 Mn\n0.326374 0.663198 0.493126 Cr\n0.659943 0.329982 0.997927 Cr\n0.168801 0.832671 0.208759 Co\n0.168801 0.336148 0.208760 Co\n0.336198 0.168105 0.708354 Co\n0.828208 0.656818 0.098414 O\n0.668955 0.334487 0.597125 O\n0.519766 0.043265 0.839267 O\n0.519768 0.476514 0.839263 O\n0.660598 0.830309 0.597110 O\n0.341250 0.170637 0.100421 O\n0.478455 0.519205 0.340032 O\n0.003701 0.001854 0.316923 O\n0.170588 0.340161 0.598749 O\n0.000976 0.000493 0.820477 O\n0.964117 0.482066 0.840758 O\n0.332308 0.666167 0.098108 O\n0.048067 0.524038 0.334803 O\n0.170590 0.830444 0.598747 O\n0.478459 0.959266 0.340027 O\n0.828210 0.171411 0.098415 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Cr",
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],
"chemical_system": "Co-Cr-Mn-O",
"density": 4.901459594388093,
"density_atomic": 0.10097183959137576,
"volume": 237.69003414343948,
"volume_molar": 5.964178511920828,
"formula_full": "Mn3 Cr2 Co3 O16",
"formula_reduced": "Mn3Cr2Co3O16",
"formula_anonymous": "A2B3C3D16",
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"spacegroup": 8
},
{
"id": "jvasp-43952",
"created_at": "2022-09-04T14:37:30.828197Z",
"updated_at": "2022-09-04T14:37:30.828210Z",
"structure_string": "Ta4 Cr2 N2 O10\n1.0\n4.747074 0.007524 -0.003730\n0.007524 4.747074 0.003730\n-0.007517 0.007517 9.034697\nTa Cr N O\n4 2 2 10\ndirect\n0.992411 0.007587 0.339191 Ta\n0.000580 -0.000580 0.673985 Ta\n0.496842 0.503157 0.167115 Ta\n0.486503 0.513496 0.826609 Ta\n0.003348 0.996651 0.993483 Cr\n0.516567 0.483431 0.498931 Cr\n0.198538 0.801461 0.844195 N\n0.793804 0.206195 0.498395 N\n0.700457 0.695957 0.663284 O\n0.697401 0.696537 0.332533 O\n0.700292 0.694772 0.001050 O\n0.305226 0.299706 0.001050 O\n0.198472 0.801526 0.499450 O\n0.303461 0.302597 0.332533 O\n0.199414 0.800585 0.162459 O\n0.802321 0.197678 0.166297 O\n0.304042 0.299541 0.663284 O\n0.800301 0.199697 0.836162 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"Cr",
"N",
"O"
],
"chemical_system": "Cr-N-O-Ta",
"density": 8.284943928641843,
"density_atomic": 0.08841146138353229,
"volume": 203.5935128581951,
"volume_molar": 6.811493290305116,
"formula_full": "Ta4 Cr2 N2 O10",
"formula_reduced": "Ta2CrNO5",
"formula_anonymous": "ABC2D5",
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"spacegroup": 8
},
{
"id": "jvasp-53682",
"created_at": "2022-09-04T14:37:30.895997Z",
"updated_at": "2022-09-04T14:37:30.896021Z",
"structure_string": "Ti1 Cr2 S4\n1.0\n4.774756 0.013938 -0.005336\n-0.326470 4.917935 0.006706\n-0.305301 -0.528873 4.890258\nTi Cr S\n1 2 4\ndirect\n0.151025 0.092393 0.878185 Ti\n0.720391 0.278711 0.517308 Cr\n0.720198 0.731605 0.064312 Cr\n0.223710 0.235261 0.445295 S\n0.687210 0.226719 0.012444 S\n0.223556 0.659528 0.021020 S\n0.773914 0.775784 0.561437 S\n",
"nsites": 7,
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"elements": [
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],
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"density": 4.04959824853305,
"density_atomic": 0.060942182748559344,
"volume": 114.86296821499191,
"volume_molar": 9.881728038601246,
"formula_full": "Ti1 Cr2 S4",
"formula_reduced": "Ti(CrS2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 8
},
{
"id": "jvasp-57442",
"created_at": "2022-09-04T14:37:31.532243Z",
"updated_at": "2022-09-04T14:37:31.532259Z",
"structure_string": "Nd4 Cu2 Ge4 O16\n1.0\n5.199462 0.013888 -0.000125\n-0.122966 8.442519 -0.000252\n-2.538125 -4.227915 7.746059\nNd Cu Ge O\n4 2 4 16\ndirect\n0.348949 0.638482 0.758468 Nd\n0.580697 0.377074 0.240087 Nd\n0.340626 0.136988 0.759917 Nd\n0.590475 0.880014 0.241532 Nd\n0.771108 0.760866 0.586692 Cu\n0.184400 0.174165 0.413301 Cu\n0.772186 0.305839 0.578872 Ge\n0.922280 0.504000 0.000004 Ge\n0.004793 0.000819 -0.000003 Ge\n0.193315 0.726970 0.421132 Ge\n0.223103 0.838042 -0.000003 O\n0.891375 0.089876 0.187451 O\n0.825086 0.677385 0.343456 O\n0.386038 0.929842 0.466568 O\n0.229163 0.595885 0.184934 O\n0.147530 0.837358 0.651772 O\n0.481631 0.333930 0.656546 O\n0.716149 0.669973 0.000002 O\n0.044229 0.410953 0.815070 O\n0.495751 0.185588 0.348230 O\n0.213793 0.170932 0.000000 O\n0.919473 0.463272 0.533433 O\n0.716639 0.333971 0.000004 O\n0.938673 0.108614 0.517266 O\n0.703926 0.902429 0.812542 O\n0.421413 0.591353 0.482739 O\n",
"nsites": 26,
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"elements": [
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],
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"density": 6.107360418570125,
"density_atomic": 0.07646378018767408,
"volume": 340.03027232220444,
"volume_molar": 7.875808317636335,
"formula_full": "Nd4 Cu2 Ge4 O16",
"formula_reduced": "Nd2Cu(GeO4)2",
"formula_anonymous": "AB2C2D8",
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},
{
"id": "jvasp-50036",
"created_at": "2022-09-04T14:37:34.982790Z",
"updated_at": "2022-09-04T14:37:34.982801Z",
"structure_string": "Ti2 Cu3 Te3 O16\n1.0\n5.950925 -0.005632 0.003212\n-2.970188 5.593728 0.030821\n-0.006140 -0.529569 9.087187\nTi Cu Te O\n2 3 3 16\ndirect\n0.361523 0.723069 0.466137 Ti\n0.696032 0.392046 0.008007 Ti\n0.676493 0.853921 0.193271 Cu\n0.177531 0.853940 0.193254 Cu\n0.815769 0.631605 0.703164 Cu\n0.178814 0.357564 0.220579 Te\n0.818760 0.136755 0.717839 Te\n0.317961 0.136737 0.717832 Te\n0.867993 0.243295 0.095750 O\n0.614605 0.229270 0.587251 O\n0.503790 0.444436 0.822338 O\n0.940633 0.444454 0.822336 O\n0.130166 0.260393 0.599617 O\n0.845923 0.691787 0.084353 O\n0.043691 0.506167 0.366412 O\n0.017695 0.035297 0.291750 O\n0.160667 0.823382 0.614837 O\n0.012765 0.025516 0.841534 O\n0.516312 0.032613 0.850072 O\n0.328073 0.656073 0.109460 O\n0.474453 0.948822 0.332861 O\n0.662673 0.823387 0.614853 O\n0.462501 0.506169 0.366448 O\n0.375362 0.243302 0.095768 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 5.07952580848297,
"density_atomic": 0.0793537292651972,
"volume": 302.443252790211,
"volume_molar": 7.588982667562138,
"formula_full": "Ti2 Cu3 Te3 O16",
"formula_reduced": "Ti2Cu3Te3O16",
"formula_anonymous": "A2B3C3D16",
"energy_above_hull": 2.4788182215277783,
"spacegroup": 8
},
{
"id": "jvasp-30659",
"created_at": "2022-09-04T14:37:34.104559Z",
"updated_at": "2022-09-04T14:37:34.104579Z",
"structure_string": "Zn1 Sb4 O8\n1.0\n3.057058 0.189590 1.179035\n1.962918 6.963999 2.913857\n1.195680 1.705808 10.306203\nZn Sb O\n1 4 8\ndirect\n0.210470 0.089654 0.183775 Zn\n0.567762 0.258579 0.499824 Sb\n0.190844 0.681908 0.134981 Sb\n0.864487 0.384943 0.883998 Sb\n0.441292 0.802560 0.554291 Sb\n0.793791 0.688317 0.728972 O\n0.582541 0.340379 0.768127 O\n0.463965 0.749370 0.241548 O\n0.210772 0.391321 0.315587 O\n0.105434 0.039665 0.620512 O\n0.889415 0.096451 0.059718 O\n0.931634 0.033779 0.406604 O\n0.125762 0.433712 0.010857 O\n",
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"elements": [
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],
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"density": 5.78925198478183,
"density_atomic": 0.06660766227027552,
"volume": 195.17274074639622,
"volume_molar": 9.041213209921427,
"formula_full": "Zn1 Sb4 O8",
"formula_reduced": "Zn(SbO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.1751817538461538,
"spacegroup": 8
},
{
"id": "jvasp-33919",
"created_at": "2022-09-04T14:37:34.133938Z",
"updated_at": "2022-09-04T14:37:34.133963Z",
"structure_string": "Te7 Mo6 S5\n1.0\n-1.873862 -2.849220 0.000023\n6.389491 -6.243303 0.081980\n-1.386872 2.953060 14.079585\nTe Mo S\n7 6 5\ndirect\n0.471410 0.173011 0.115842 Te\n0.906232 0.579543 0.391997 Te\n0.102133 0.413907 0.618153 Te\n0.517850 0.844865 0.880573 Te\n0.147844 0.819435 0.115124 Te\n0.425978 0.767387 0.619346 Te\n0.193893 0.495624 0.883398 Te\n0.303061 0.650099 0.256228 Mo\n0.705746 0.339439 0.750916 Mo\n0.633369 0.981020 0.247768 Mo\n0.032420 0.685154 0.749971 Mo\n0.970013 0.314925 0.254977 Mo\n0.358753 0.032987 0.750505 Mo\n0.222696 0.908538 0.353922 S\n0.563756 0.228447 0.355977 S\n0.848909 0.161816 0.859651 S\n0.823388 0.507526 0.154290 S\n0.772534 0.096276 0.641357 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.413442741329947,
"density_atomic": 0.04267264452901055,
"volume": 421.81590099865707,
"volume_molar": 14.112415170111873,
"formula_full": "Te7 Mo6 S5",
"formula_reduced": "Te7Mo6S5",
"formula_anonymous": "A5B6C7",
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"spacegroup": 8
}
]
}