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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4371",
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"results": [
{
"id": "jvasp-43926",
"created_at": "2022-09-04T14:37:19.794931Z",
"updated_at": "2022-09-04T14:37:19.794948Z",
"structure_string": "Li4 Cr3 Co3 Sn2 O16\n1.0\n5.778047 -0.029376 0.015144\n-2.890226 5.034179 0.004075\n-0.099460 -0.065086 9.589062\nLi Cr Co Sn O\n4 3 3 2 16\ndirect\n0.664067 0.332025 0.892078 Li\n0.007946 0.003911 0.993932 Li\n0.005118 0.002610 0.495394 Li\n0.331558 0.665776 0.398044 Li\n0.830148 0.172122 0.215395 Cr\n0.830150 0.657963 0.215398 Cr\n0.657406 0.828718 0.715142 Cr\n0.171339 0.339708 0.714595 Co\n0.171341 0.831645 0.714597 Co\n0.341793 0.170864 0.214720 Co\n0.664110 0.332069 0.495730 Sn\n0.330332 0.665125 0.990886 Sn\n0.684453 0.842187 0.102284 O\n0.158205 0.315875 0.103339 O\n0.327592 0.663794 0.608883 O\n0.483491 0.969685 0.834231 O\n0.483513 0.513805 0.834212 O\n0.312790 0.156399 0.605407 O\n0.512755 0.481889 0.334634 O\n0.969943 0.484943 0.336854 O\n0.842616 0.686996 0.603114 O\n0.004809 0.002417 0.806893 O\n0.003996 0.001970 0.307471 O\n0.665324 0.332630 0.105342 O\n0.031614 0.515816 0.828132 O\n0.842597 0.155654 0.603133 O\n0.512773 0.030844 0.334643 O\n0.158213 0.842244 0.103354 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 5.098621106360973,
"density_atomic": 0.10067531165742993,
"volume": 278.12181098853915,
"volume_molar": 5.981745336425349,
"formula_full": "Li4 Cr3 Co3 Sn2 O16",
"formula_reduced": "Li4Cr3Co3(SnO8)2",
"formula_anonymous": "A2B3C3D4E16",
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{
"id": "jvasp-30381",
"created_at": "2022-09-04T14:37:27.501844Z",
"updated_at": "2022-09-04T14:37:27.501865Z",
"structure_string": "V4 O4 F12\n1.0\n2.822867 -0.139811 -4.918117\n-0.130195 11.300839 0.225273\n2.063002 0.070205 4.452642\nV O F\n4 4 12\ndirect\n0.045094 0.969859 0.000023 V\n0.015711 0.474261 -0.000025 V\n0.545263 0.221449 0.000001 V\n0.456869 0.721840 -0.000036 V\n0.216078 0.379756 -0.000030 O\n0.238900 0.867737 0.000055 O\n0.239528 0.621359 0.999708 O\n0.761515 0.135429 0.999982 O\n0.817197 0.012636 0.578394 F\n0.287849 0.113860 0.999711 F\n0.698213 0.764948 0.420926 F\n0.708695 0.259046 0.421353 F\n0.277571 0.765115 0.579157 F\n0.182622 0.512154 0.422666 F\n0.739778 0.375946 0.000318 F\n0.773864 0.884961 0.000305 F\n0.759728 0.512004 0.577235 F\n0.238935 0.012790 0.421549 F\n0.287617 0.259206 0.578724 F\n0.708971 0.635641 -0.000033 F\n",
"nsites": 20,
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"elements": [
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],
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"density_atomic": 0.07795561499859496,
"volume": 256.5562467868475,
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"formula_full": "V4 O4 F12",
"formula_reduced": "VOF3",
"formula_anonymous": "ABC3",
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"spacegroup": 8
},
{
"id": "jvasp-44568",
"created_at": "2022-09-04T14:37:28.551064Z",
"updated_at": "2022-09-04T14:37:28.551101Z",
"structure_string": "Li2 Cu2 O4\n1.0\n4.863628 1.366006 -0.407461\n-4.863628 1.366006 0.407461\n-3.931249 0.000000 6.322752\nLi Cu O\n2 2 4\ndirect\n0.700365 0.299638 0.932884 Li\n0.973636 0.026366 0.468381 Li\n0.116363 0.883640 0.244770 Cu\n0.846221 0.153782 0.726786 Cu\n0.239540 0.760462 0.769429 O\n0.451190 0.548812 0.681748 O\n0.516910 0.483093 0.297094 O\n0.720785 0.279217 0.202805 O\n",
"nsites": 8,
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"elements": [
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],
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"density": 4.273919615616274,
"density_atomic": 0.10045546029229746,
"volume": 79.63728379445203,
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"formula_full": "Li2 Cu2 O4",
"formula_reduced": "LiCuO2",
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},
{
"id": "jvasp-30537",
"created_at": "2022-09-04T14:37:28.843990Z",
"updated_at": "2022-09-04T14:37:28.844017Z",
"structure_string": "Ti1 Bi2 O6\n1.0\n3.747623 0.469436 -0.125970\n0.486062 3.745249 -0.131911\n-0.301275 -0.283851 9.128252\nTi Bi O\n1 2 6\ndirect\n0.466249 0.466242 0.796332 Ti\n0.031102 0.031159 0.472126 Bi\n0.151320 0.151258 0.097437 Bi\n0.435248 0.435242 0.595535 O\n0.993075 0.497599 0.321448 O\n0.458524 0.968668 0.835637 O\n0.497600 0.993104 0.321437 O\n0.498218 0.498176 0.053524 O\n0.968651 0.458559 0.835641 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
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],
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"density": 7.4164054043335526,
"density_atomic": 0.07154617683645567,
"volume": 125.79288507019338,
"volume_molar": 8.417138449991189,
"formula_full": "Ti1 Bi2 O6",
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"spacegroup": 8
},
{
"id": "jvasp-53125",
"created_at": "2022-09-04T14:37:28.990436Z",
"updated_at": "2022-09-04T14:37:28.990457Z",
"structure_string": "Na2 Cl2 O4\n1.0\n4.348272 0.169435 -0.708615\n0.142808 4.522308 -0.540897\n-1.310159 -1.208527 6.368050\nNa Cl O\n2 2 4\ndirect\n0.065834 0.947055 0.005682 Na\n0.565829 0.447084 0.505720 Na\n0.512667 0.419861 -0.034473 Cl\n0.012633 0.919864 0.465503 Cl\n0.821689 0.436429 0.898349 O\n0.591660 0.206415 0.128273 O\n0.091698 0.706421 0.628257 O\n0.321654 0.936460 0.398334 O\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.5396396012459674,
"density_atomic": 0.06764175936093969,
"volume": 118.27013483359612,
"volume_molar": 8.902992495901188,
"formula_full": "Na2 Cl2 O4",
"formula_reduced": "NaClO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9771063029166664,
"spacegroup": 8
},
{
"id": "jvasp-42392",
"created_at": "2022-09-04T14:37:29.078188Z",
"updated_at": "2022-09-04T14:37:29.078205Z",
"structure_string": "Fe6 O1 F11\n1.0\n-4.727142 4.727142 3.074549\n0.044386 4.782395 -3.086448\n-4.782395 -0.044386 -3.086448\nFe O F\n6 1 11\ndirect\n0.839085 0.667163 0.667163 Fe\n0.641437 0.344225 0.344225 Fe\n0.338408 0.652110 0.652110 Fe\n0.185231 0.334301 0.334301 Fe\n0.491887 0.001055 0.001055 Fe\n0.001225 0.004057 0.004057 Fe\n0.356531 0.443272 0.443272 O\n0.675507 0.636641 0.037611 F\n0.333364 0.945914 0.373544 F\n0.692717 0.104118 0.104118 F\n0.052633 0.754257 0.754257 F\n0.333364 0.373544 0.945914 F\n0.964729 0.242355 0.242355 F\n0.307935 0.882340 0.882340 F\n0.992176 0.291291 0.706241 F\n0.675507 0.037611 0.636641 F\n0.626077 0.579502 0.579502 F\n0.992176 0.706241 0.291291 F\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "F-Fe-O",
"density": 4.4042048673129,
"density_atomic": 0.08524377920081848,
"volume": 211.15910355869312,
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"formula_full": "Fe6 O1 F11",
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"formula_anonymous": "AB6C11",
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"spacegroup": 8
},
{
"id": "jvasp-42446",
"created_at": "2022-09-04T14:37:29.295305Z",
"updated_at": "2022-09-04T14:37:29.295332Z",
"structure_string": "Li4 Fe2 F8\n1.0\n4.888565 0.113154 0.059211\n0.270623 5.893052 0.095586\n0.289130 2.317463 5.418777\nLi Fe F\n4 2 8\ndirect\n0.927262 0.941065 0.941029 Li\n0.415479 0.054508 0.054495 Li\n0.384876 0.787799 0.787920 Li\n0.825795 0.211887 0.211636 Li\n0.838099 0.575895 0.575834 Fe\n0.243888 0.415859 0.415837 Fe\n0.759381 0.781616 0.781838 F\n0.736726 0.884783 0.273392 F\n0.247833 0.620996 0.621012 F\n0.736705 0.273346 0.884645 F\n0.247650 0.731192 0.110453 F\n0.687860 0.391783 0.391647 F\n0.247656 0.110406 0.731071 F\n0.200792 0.218992 0.218755 F\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.1263345735865458,
"density_atomic": 0.09044059420843537,
"volume": 154.79774455854056,
"volume_molar": 6.658670050443251,
"formula_full": "Li4 Fe2 F8",
"formula_reduced": "Li2FeF4",
"formula_anonymous": "AB2C4",
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"spacegroup": 8
},
{
"id": "jvasp-47721",
"created_at": "2022-09-04T14:37:29.459836Z",
"updated_at": "2022-09-04T14:37:29.459847Z",
"structure_string": "Li2 Cu2 F7\n1.0\n3.079965 -0.000748 -0.000153\n-1.539124 5.875168 0.687010\n-1.540266 -0.693318 7.950862\nLi Cu F\n2 2 7\ndirect\n0.035439 0.723431 0.347713 Li\n0.235885 0.479781 0.991771 Li\n0.765579 0.830338 0.701189 Cu\n0.552470 0.010080 0.094548 Cu\n0.428467 0.696949 0.159607 F\n0.331584 0.022166 0.641362 F\n0.942050 0.954919 0.929140 F\n0.592709 0.699781 0.485972 F\n0.674075 0.319046 0.028902 F\n0.207252 0.632756 0.782029 F\n0.146148 0.042403 0.249419 F\n",
"nsites": 11,
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"elements": [
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"F"
],
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"density": 3.1302865547049343,
"density_atomic": 0.07568957241072492,
"volume": 145.3304550369126,
"volume_molar": 7.956367790428534,
"formula_full": "Li2 Cu2 F7",
"formula_reduced": "Li2Cu2F7",
"formula_anonymous": "A2B2C7",
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"spacegroup": 8
},
{
"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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],
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"density": 4.403289224290886,
"density_atomic": 0.10525913130225527,
"volume": 266.01017558844393,
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"formula_full": "Li4 Mn3 V3 Cr2 O16",
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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,
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"elements": [
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"S"
],
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"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",
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"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,
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"elements": [
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],
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"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,
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"elements": [
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],
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"density": 5.341281815111333,
"density_atomic": 0.1032822971972815,
"volume": 174.2796247610358,
"volume_molar": 5.830757955060772,
"formula_full": "Co6 O7 F5",
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"spacegroup": 8
}
]
}