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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4580",
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"results": [
{
"id": "jvasp-112050",
"created_at": "2022-09-04T14:38:42.135133Z",
"updated_at": "2022-09-04T14:38:42.135159Z",
"structure_string": "Zn1 H10 C7 O4\n1.0\n4.394879 -0.028929 -0.031519\n-2.071913 4.394709 -0.422681\n0.069396 0.019199 9.579146\nZn H C O\n1 10 7 4\ndirect\n0.643178 0.281117 0.173590 Zn\n0.937388 0.499942 0.490298 H\n0.607772 0.429015 0.714528 H\n0.938965 0.393395 0.802976 H\n0.334814 0.928189 0.748035 H\n-0.002189 0.953751 0.659978 H\n0.529627 0.549543 0.951804 H\n0.741502 0.915521 0.888977 H\n0.279052 0.017220 0.420094 H\n0.625806 0.055221 0.523090 H\n0.289846 0.494242 0.575579 H\n0.548559 0.771489 0.335955 C\n0.405254 0.885595 0.459522 C\n0.173533 0.644564 0.550513 C\n0.098371 0.791293 0.686034 C\n0.845896 0.560106 0.775886 C\n0.767418 0.709596 0.911612 C\n0.046801 0.797450 0.022365 C\n0.284868 0.067378 0.025696 O\n0.727801 0.958345 0.250513 O\n0.497944 0.492427 0.326270 O\n0.049375 0.600660 0.101681 O\n",
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"elements": [
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],
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"volume": 184.48689972831005,
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"formula_full": "Zn1 H10 C7 O4",
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"formula_anonymous": "AB4C7D10",
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{
"id": "jvasp-112058",
"created_at": "2022-09-04T14:38:42.221701Z",
"updated_at": "2022-09-04T14:38:42.221738Z",
"structure_string": "Sn1 H8 C5 O4\n1.0\n4.907649 0.071408 -0.210428\n-0.837061 5.707878 -1.881113\n-0.095160 -0.246941 6.499301\nSn H C O\n1 8 5 4\ndirect\n0.248606 0.922059 0.098316 Sn\n0.028908 0.238346 0.973959 H\n0.386223 0.262237 0.928637 H\n0.550382 0.621085 0.204298 H\n0.142609 0.028902 0.735092 H\n0.213448 0.602724 0.299345 H\n0.553286 0.419762 0.586291 H\n0.693788 0.225064 0.695272 H\n0.471025 0.845741 0.450027 H\n0.391215 0.720927 0.285638 C\n0.197353 0.140649 0.907703 C\n0.947844 0.551429 0.772917 C\n0.840215 0.213000 0.391923 C\n0.745550 0.351918 0.611308 C\n0.681817 0.171803 0.218627 O\n0.197413 0.593626 0.743988 O\n0.850842 0.680360 0.948942 O\n0.072846 0.134900 0.393684 O\n",
"nsites": 18,
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"elements": [
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"density_atomic": 0.09998673960601925,
"volume": 180.02387187466996,
"volume_molar": 6.022939425497043,
"formula_full": "Sn1 H8 C5 O4",
"formula_reduced": "SnH8C5O4",
"formula_anonymous": "AB4C5D8",
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"spacegroup": 1
},
{
"id": "jvasp-112769",
"created_at": "2022-09-04T14:38:42.296104Z",
"updated_at": "2022-09-04T14:38:42.296133Z",
"structure_string": "Li2 Fe2 P4 H3 O16\n1.0\n4.798979 -0.018903 -1.143089\n0.262958 7.983408 -0.070326\n0.050736 -0.023833 7.237605\nLi Fe P H O\n2 2 4 3 16\ndirect\n0.360981 0.850538 0.828084 Li\n0.628958 0.149550 0.173478 Li\n0.498308 0.501767 0.001640 Fe\n-0.001690 0.997479 0.496558 Fe\n0.120774 0.341036 0.265086 P\n0.371383 0.849193 0.236623 P\n0.626663 0.152799 0.754314 P\n0.875078 0.659289 0.735654 P\n0.963893 0.014926 0.985112 H\n0.330303 0.396523 0.571029 H\n0.661046 0.604368 0.430182 H\n0.652973 0.682575 0.854460 O\n0.845583 0.165085 0.629941 O\n0.761645 0.554274 0.554543 O\n0.610998 0.962703 0.332625 O\n0.481427 0.668076 0.216783 O\n0.770214 0.079430 0.955175 O\n0.345220 0.319306 0.148177 O\n0.158488 0.834574 0.369487 O\n0.516345 0.330117 0.784627 O\n0.392564 0.034856 0.668349 O\n0.229224 0.446170 0.446934 O\n0.861819 0.429231 0.147968 O\n0.134531 0.569895 0.851242 O\n0.958565 0.836395 0.680983 O\n0.232137 0.924802 0.044771 O\n0.038751 0.163085 0.318165 O\n",
"nsites": 27,
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"elements": [
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"Fe",
"P",
"H",
"O"
],
"chemical_system": "Fe-H-Li-O-P",
"density": 3.039572209903594,
"density_atomic": 0.09719684620178273,
"volume": 277.78679098236813,
"volume_molar": 6.195819098387109,
"formula_full": "Li2 Fe2 P4 H3 O16",
"formula_reduced": "Li2Fe2P4H3O16",
"formula_anonymous": "A2B2C3D4E16",
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},
{
"id": "jvasp-111841",
"created_at": "2022-09-04T14:38:42.321777Z",
"updated_at": "2022-09-04T14:38:42.321800Z",
"structure_string": "Li1 Mn2 P2 H4 O10\n1.0\n4.945232 0.065733 -1.222388\n-1.215496 5.022636 -1.330381\n0.025502 -0.096369 7.532633\nLi Mn P H O\n1 2 2 4 10\ndirect\n0.090104 0.394722 0.920474 Li\n0.989392 0.489936 0.494484 Mn\n0.512276 0.008002 0.002665 Mn\n0.427171 0.588936 0.256399 P\n0.568392 0.424180 0.746629 P\n0.884932 0.936215 0.293593 H\n0.075295 0.124821 0.207118 H\n0.116639 0.023417 0.686326 H\n0.925071 0.855662 0.786537 H\n0.669552 0.729823 0.844941 O\n0.243966 0.346706 0.688911 O\n0.319617 0.286212 0.133877 O\n0.747705 0.662384 0.333977 O\n0.328700 0.738831 0.110788 O\n0.690820 0.280438 0.891007 O\n0.296738 0.650502 0.422202 O\n0.103188 0.878622 0.747141 O\n0.678372 0.339379 0.571255 O\n0.907053 0.103712 0.254526 O\n",
"nsites": 19,
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"elements": [
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],
"chemical_system": "H-Li-Mn-O-P",
"density": 3.0427152812637863,
"density_atomic": 0.1015633930057236,
"volume": 187.0752781854113,
"volume_molar": 5.929440304993181,
"formula_full": "Li1 Mn2 P2 H4 O10",
"formula_reduced": "LiMn2P2(H2O5)2",
"formula_anonymous": "AB2C2D4E10",
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"spacegroup": 1
},
{
"id": "jvasp-112075",
"created_at": "2022-09-04T14:38:42.393732Z",
"updated_at": "2022-09-04T14:38:42.393760Z",
"structure_string": "Sn1 H12 C7 O4\n1.0\n5.036731 0.064214 -0.153047\n-0.789998 6.229083 -0.617983\n-0.038330 0.130894 7.177848\nSn H C O\n1 12 7 4\ndirect\n0.869387 0.647669 0.643925 Sn\n0.850644 0.240430 0.490554 H\n0.029063 0.421676 0.343729 H\n0.089755 0.905528 0.934183 H\n0.957270 0.068515 0.767465 H\n0.265724 -0.042430 0.724859 H\n0.186565 0.351526 0.557101 H\n0.530118 0.422639 0.205808 H\n0.831954 0.135878 0.145523 H\n0.599987 0.000808 0.975983 H\n0.288645 0.889047 0.205432 H\n0.399228 0.103851 0.364488 H\n0.297288 0.298354 0.029956 H\n0.471597 0.989335 0.259063 C\n0.618129 0.105275 0.106896 C\n0.509654 0.318117 0.073956 C\n0.666005 0.437036 0.931566 C\n-0.001185 0.379808 0.486989 C\n0.070183 0.932938 0.786164 C\n0.639828 0.852740 0.366596 C\n0.526197 0.756410 0.503150 O\n0.535901 0.529258 0.806111 O\n0.917256 0.448026 0.928462 O\n0.881116 0.836397 0.337403 O\n",
"nsites": 24,
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"elements": [
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],
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"density_atomic": 0.10621738972361106,
"volume": 225.9517020937019,
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"formula_full": "Sn1 H12 C7 O4",
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"formula_anonymous": "AB4C7D12",
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"spacegroup": 1
},
{
"id": "jvasp-116874",
"created_at": "2022-09-04T14:38:42.391998Z",
"updated_at": "2022-09-04T14:38:42.392024Z",
"structure_string": "Co6 O5 F7\n1.0\n4.490059 -0.013453 0.190128\n0.261563 5.354679 0.376768\n-0.058093 -0.042930 7.461449\nCo O F\n6 5 7\ndirect\n0.509328 0.487037 0.000993 Co\n0.487020 0.174727 0.329266 Co\n0.526724 0.851187 0.675372 Co\n0.989484 0.322948 0.668655 Co\n0.027059 0.650711 0.327610 Co\n0.962322 0.011766 -0.003973 Co\n0.310305 0.459970 0.228993 O\n0.304527 0.129665 0.562857 O\n0.690350 0.205650 0.100936 O\n0.702790 0.539411 0.772543 O\n0.804151 0.044192 0.769974 O\n0.786412 0.360198 0.428647 F\n0.789281 0.690638 0.098982 F\n0.702099 0.865342 0.420394 F\n0.291022 0.797441 0.912609 F\n0.194933 0.976273 0.228748 F\n0.219434 0.301227 0.902994 F\n0.202758 0.631623 0.574432 F\n",
"nsites": 18,
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"elements": [
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"F"
],
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"density": 5.239955063723745,
"density_atomic": 0.1002503513633544,
"volume": 179.55049289313249,
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},
{
"id": "jvasp-112023",
"created_at": "2022-09-04T14:38:42.420293Z",
"updated_at": "2022-09-04T14:38:42.420318Z",
"structure_string": "Sn1 H26 C14 O4\n1.0\n4.887379 -0.044503 0.094296\n-1.684175 7.224405 -2.188321\n0.245814 -0.152236 10.493322\nSn H C O\n1 26 14 4\ndirect\n0.442992 0.373752 0.801068 Sn\n0.618276 0.599398 0.384907 H\n0.829424 0.390502 0.614930 H\n0.560349 0.502702 0.591079 H\n0.325898 0.528847 0.054216 H\n0.098690 0.300220 -0.005277 H\n0.471176 0.710942 0.291312 H\n0.497253 0.253613 0.534758 H\n0.483555 0.984267 0.494293 H\n0.822414 0.945977 0.447440 H\n0.808816 0.783809 0.624866 H\n0.482987 0.844285 0.678416 H\n0.183468 0.246219 0.408666 H\n0.461335 0.328177 0.043075 H\n0.813127 0.399297 0.365798 H\n0.766468 0.057292 0.273563 H\n0.451439 0.064241 0.094794 H\n0.445298 0.827456 0.062035 H\n0.338008 0.931502 0.865000 H\n0.902757 0.115166 0.130589 H\n0.012543 0.967310 0.938599 H\n0.204565 0.913530 0.270128 H\n0.365647 0.290005 0.268465 H\n0.065005 0.723742 0.446545 H\n0.196492 0.593602 0.530920 H\n0.008440 0.460668 0.234568 H\n0.932370 0.788603 0.149496 H\n0.174359 0.887122 0.930530 C\n0.028932 0.435990 0.331644 C\n0.309297 0.925227 0.069774 C\n0.097002 0.918575 0.181455 C\n0.963693 0.088256 0.221393 C\n0.187346 0.616909 0.432743 C\n0.154971 0.266053 0.310818 C\n0.038796 0.682886 0.869804 C\n0.622361 0.888699 0.487988 C\n0.483352 0.696995 0.392435 C\n0.845330 0.073089 0.716814 C\n0.602950 0.380311 0.610354 C\n0.314129 0.382609 -0.001234 C\n0.680707 0.885440 0.630636 C\n0.107763 0.116615 0.693905 O\n0.182999 0.576733 0.793015 O\n0.784291 0.628198 0.900004 O\n0.722173 0.177781 0.807483 O\n",
"nsites": 45,
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"elements": [
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],
"chemical_system": "C-H-O-Sn",
"density": 1.7015840061278342,
"density_atomic": 0.1222930918417814,
"volume": 367.96845449143973,
"volume_molar": 4.9243507293046775,
"formula_full": "Sn1 H26 C14 O4",
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"formula_anonymous": "AB4C14D26",
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},
{
"id": "jvasp-112077",
"created_at": "2022-09-04T14:38:42.435091Z",
"updated_at": "2022-09-04T14:38:42.435116Z",
"structure_string": "Sn1 H10 C6 O6\n1.0\n4.876555 -0.044580 1.051379\n0.176154 5.295751 0.871082\n0.153592 -0.258331 8.275980\nSn H C O\n1 10 6 6\ndirect\n0.603698 0.697685 0.697275 Sn\n0.880299 0.032965 0.043654 H\n0.007345 0.850924 0.202065 H\n0.607942 0.515328 0.170246 H\n0.268076 0.603824 0.269531 H\n0.199007 0.140305 0.401620 H\n0.503040 0.070118 0.252629 H\n0.970963 0.343850 0.196190 H\n0.774135 0.136153 0.658696 H\n0.634376 0.295430 0.890874 H\n0.262169 0.351684 0.032954 H\n0.065325 0.995820 0.093709 C\n0.439179 0.469242 0.279394 C\n0.330268 0.206033 0.279277 C\n0.277607 0.884845 0.960909 C\n0.522656 0.525503 0.432828 C\n0.156448 0.234250 0.146428 C\n0.332285 0.550725 0.566066 O\n0.756294 0.017889 0.579227 O\n0.765965 0.382548 0.796966 O\n0.535530 0.902777 0.947067 O\n0.198152 0.768625 0.853263 O\n0.768735 0.573386 0.435362 O\n",
"nsites": 23,
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"elements": [
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],
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"density": 2.3036235019483002,
"density_atomic": 0.10748631794041813,
"volume": 213.98072276277406,
"volume_molar": 5.6027044887128765,
"formula_full": "Sn1 H10 C6 O6",
"formula_reduced": "SnH10(CO)6",
"formula_anonymous": "AB6C6D10",
"energy_above_hull": 4.2239966391304336,
"spacegroup": 1
},
{
"id": "jvasp-112034",
"created_at": "2022-09-04T14:38:43.232380Z",
"updated_at": "2022-09-04T14:38:43.232406Z",
"structure_string": "H8 C14 S1 O1\n1.0\n3.761546 -0.055888 -0.529525\n-1.806935 5.941990 -0.131717\n-0.066909 -0.202548 10.760589\nH C S O\n8 14 1 1\ndirect\n0.629211 0.138753 0.168905 H\n0.073059 0.166226 0.590835 H\n0.648202 0.788541 0.401158 H\n0.312997 0.946885 0.781688 H\n0.524371 0.757694 0.169162 H\n0.385440 0.887050 0.559953 H\n0.751528 0.168368 0.401434 H\n0.001869 0.225884 0.810824 H\n0.082503 0.371099 0.756216 C\n0.929470 0.294730 0.351177 C\n0.121517 0.338092 0.631389 C\n0.857358 0.278032 0.220641 C\n0.048935 0.631205 0.936263 C\n0.132073 0.590750 0.810643 C\n0.199833 0.485434 0.419354 C\n0.419146 0.647793 0.350857 C\n0.055845 0.450494 0.153240 C\n0.257286 0.775996 0.738623 C\n0.301754 0.741498 0.614817 C\n0.350223 0.630770 0.219992 C\n0.920295 0.437214 0.015915 C\n0.218872 0.520936 0.556447 C\n0.985400 0.868200 0.987151 S\n0.654922 0.274229 0.963359 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 1.558780140588226,
"density_atomic": 0.10045252919916145,
"volume": 238.91882256559794,
"volume_molar": 5.995011582097897,
"formula_full": "H8 C14 S1 O1",
"formula_reduced": "H8C14SO",
"formula_anonymous": "ABC8D14",
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"spacegroup": 1
},
{
"id": "jvasp-116315",
"created_at": "2022-09-04T14:38:42.478978Z",
"updated_at": "2022-09-04T14:38:42.479011Z",
"structure_string": "Mg1 Cl3\n1.0\n5.544409 0.567568 -0.125001\n-4.976611 -4.188843 0.348191\n-0.669328 -0.524660 -5.768429\nMg Cl\n1 3\ndirect\n0.873361 0.243885 0.611301 Mg\n-0.124946 0.249222 0.002267 Cl\n0.124944 0.761000 0.456684 Cl\n0.616783 0.733518 0.487021 Cl\n",
"nsites": 4,
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"elements": [
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],
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"density_atomic": 0.03373216945094021,
"volume": 118.58116643868897,
"volume_molar": 17.852811894469323,
"formula_full": "Mg1 Cl3",
"formula_reduced": "MgCl3",
"formula_anonymous": "AB3",
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"spacegroup": 1
},
{
"id": "jvasp-112082",
"created_at": "2022-09-04T14:38:42.521184Z",
"updated_at": "2022-09-04T14:38:42.521209Z",
"structure_string": "Al1 H6 C5 Cl1 O4\n1.0\n4.677305 -0.025715 1.238956\n0.260252 5.906839 0.338095\n-0.034912 -0.213391 6.762421\nAl H C Cl O\n1 6 5 1 4\ndirect\n0.074651 0.687940 0.440232 Al\n0.517413 0.267184 0.574967 H\n0.802016 0.101539 0.634754 H\n0.423508 0.893664 0.908390 H\n0.157274 0.076371 0.844546 H\n0.512761 0.399437 0.898937 H\n0.619861 0.194485 0.056191 H\n0.576338 0.101072 0.632849 C\n0.382232 0.064052 0.850288 C\n0.534609 0.928245 0.488041 C\n0.194312 0.324403 0.159880 C\n0.441672 0.246623 0.988212 C\n0.015944 0.555692 0.743212 Cl\n0.728632 0.778429 0.409177 O\n0.252055 0.515001 0.241203 O\n0.967859 0.229558 0.220320 O\n0.288799 0.926134 0.448217 O\n",
"nsites": 17,
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"elements": [
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"C",
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],
"chemical_system": "Al-C-Cl-H-O",
"density": 1.706002299485381,
"density_atomic": 0.09071385636025608,
"volume": 187.40246178585025,
"volume_molar": 6.6386117861465355,
"formula_full": "Al1 H6 C5 Cl1 O4",
"formula_reduced": "AlH6C5ClO4",
"formula_anonymous": "ABC4D5E6",
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"spacegroup": 1
},
{
"id": "jvasp-112090",
"created_at": "2022-09-04T14:38:42.577814Z",
"updated_at": "2022-09-04T14:38:42.577834Z",
"structure_string": "H6 C4 S2 N2 O2\n1.0\n5.422659 0.066672 0.726099\n2.409676 5.130241 1.555098\n0.039060 -0.116035 6.093504\nH C S N O\n6 4 2 2 2\ndirect\n0.937974 0.076248 0.889239 H\n0.437975 0.576252 0.389240 H\n0.659307 0.086445 0.750090 H\n0.159310 0.586443 0.250093 H\n0.163659 0.125835 0.533990 H\n0.663662 0.625834 0.033993 H\n0.808798 0.164801 0.740450 C\n0.308800 0.664801 0.240451 C\n0.939672 0.012952 0.384448 C\n0.439674 0.512951 0.884449 C\n0.668473 0.966544 0.360588 S\n0.168474 0.466545 0.860588 S\n0.976577 0.123316 0.539673 N\n0.476579 0.623315 0.039675 N\n0.161735 0.946221 0.236475 O\n0.661737 0.446219 0.736477 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.749459144940349,
"density_atomic": 0.09457741727522738,
"volume": 169.17357717052897,
"volume_molar": 6.367419341210301,
"formula_full": "H6 C4 S2 N2 O2",
"formula_reduced": "H3C2SNO",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 4.23164584375,
"spacegroup": 1
}
]
}