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{
"id": "oqmd-824448",
"created_at": "2022-09-04T15:22:18.678261Z",
"updated_at": "2022-09-04T15:22:18.678288Z",
"structure_string": "Li6 Os4 O11\n1.0\n-5.215140 -8.496763 -0.209621\n-2.463543 4.159656 -0.067499\n1.560096 0.006933 -4.823396\nLi O Os\n6 11 4\ndirect\n0.834310 0.328941 0.498028 Li\n0.323858 0.318464 0.499419 Li\n0.679915 0.676783 0.502833 Li\n0.168226 0.669232 0.504376 Li\n0.243817 0.510306 0.990735 Li\n0.750813 0.489203 0.995706 Li\n0.770293 0.897010 0.215434 O\n0.275519 0.926253 0.215515 O\n0.955432 0.555053 0.219832 O\n0.127056 0.264139 0.260818 O\n0.621805 0.245145 0.261380 O\n0.875245 0.740854 0.739136 O\n0.369886 0.739139 0.744273 O\n0.546040 0.444782 0.757785 O\n0.045195 0.450466 0.784020 O\n0.729455 0.082831 0.787124 O\n0.230347 0.105563 0.795591 O\n0.923387 0.139032 0.000754 Os\n0.437441 0.179133 0.001858 Os\n0.074529 0.863927 0.002113 Os\n0.558775 0.820058 0.006851 Os\n",
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"elements": [
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"density": 7.817640328284337,
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"volume": 207.8550616878105,
"volume_molar": 5.960630662678467,
"formula_full": "Li6 Os4 O11",
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"formula_anonymous": "A4B6C11",
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"spacegroup": 1
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{
"id": "oqmd-824461",
"created_at": "2022-09-04T15:22:18.590700Z",
"updated_at": "2022-09-04T15:22:18.590725Z",
"structure_string": "Li6 Sn4 O11\n1.0\n-5.541171 -8.869638 0.035488\n-2.823331 4.465216 0.007894\n1.920321 -0.004277 -4.968220\nLi O Sn\n6 11 4\ndirect\n0.986332 0.977896 0.476394 Li\n0.850975 0.390297 0.480297 Li\n0.519649 0.038619 0.492667 Li\n0.693871 0.698725 0.497196 Li\n0.138252 0.587925 0.499398 Li\n0.285382 0.229643 0.516076 Li\n0.600198 0.219262 0.219646 O\n0.977562 0.581606 0.238176 O\n0.302963 0.957937 0.248883 O\n0.108986 0.200927 0.251527 O\n0.807734 0.974998 0.253180 O\n0.491396 0.649464 0.268043 O\n0.898041 0.789038 0.740404 O\n0.211553 0.995307 0.749860 O\n0.024786 0.402931 0.750277 O\n0.697678 0.037268 0.756960 O\n0.492311 0.422185 0.759669 O\n0.086151 0.814129 0.000907 Sn\n0.604091 0.847755 0.018842 Sn\n0.411568 0.230584 0.047505 Sn\n0.918704 0.169743 0.988542 Sn\n",
"nsites": 21,
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"elements": [
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"formula_full": "Li6 Sn4 O11",
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"formula_anonymous": "A4B6C11",
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"spacegroup": 1
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{
"id": "oqmd-824468",
"created_at": "2022-09-04T15:22:18.600962Z",
"updated_at": "2022-09-04T15:22:18.600991Z",
"structure_string": "Li6 V4 O11\n1.0\n-5.190075 -8.661819 -0.139526\n-2.485464 4.269010 0.067502\n1.723921 -0.054607 -4.748736\nLi O V\n6 11 4\ndirect\n0.178208 0.660880 0.490532 Li\n0.713623 0.666655 0.491255 Li\n0.014696 0.013672 0.515154 Li\n0.498466 0.050128 0.525179 Li\n0.228824 0.478835 0.965677 Li\n0.755611 0.503963 0.984981 Li\n0.789043 0.926782 0.222387 O\n0.276563 0.905584 0.222394 O\n0.105894 0.222143 0.229301 O\n0.969620 0.603787 0.229593 O\n0.594232 0.185416 0.236544 O\n0.386395 0.760498 0.748701 O\n0.709428 0.067959 0.762161 O\n0.898110 0.788800 0.777741 O\n0.031749 0.423921 0.783422 O\n0.203938 0.063336 0.791240 O\n0.539108 0.434619 0.810925 O\n0.078473 0.818506 0.001188 V\n0.911248 0.159985 0.026749 V\n0.584251 0.848676 0.963334 V\n0.401967 0.137095 0.997358 V\n",
"nsites": 21,
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"elements": [
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"density_atomic": 0.10123901434237435,
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"formula_full": "Li6 V4 O11",
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"formula_anonymous": "A4B6C11",
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"spacegroup": 1
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{
"id": "oqmd-824603",
"created_at": "2022-09-04T15:22:18.773051Z",
"updated_at": "2022-09-04T15:22:18.773075Z",
"structure_string": "Ca4 Mn1 P5\n1.0\n4.208445 0.031351 0.006688\n-0.394981 5.929021 0.031522\n-1.957149 -0.479521 8.917452\nCa Mn P\n4 1 5\ndirect\n0.090685 0.905215 0.019897 Ca\n0.191606 0.409631 0.296751 Ca\n0.868061 0.078161 0.589283 Ca\n0.406817 0.577821 0.737878 Ca\n0.739999 0.778873 0.310280 Mn\n0.597074 0.569765 0.084074 P\n0.269737 0.947662 0.344630 P\n0.809017 0.552947 0.516194 P\n0.485073 0.081442 0.813892 P\n0.854391 0.346147 0.953283 P\n",
"nsites": 10,
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"elements": [
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"density": 2.759022843664063,
"density_atomic": 0.04489159010918892,
"volume": 222.75887255669048,
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"formula_full": "Ca4 Mn1 P5",
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"formula_anonymous": "AB4C5",
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"spacegroup": 1
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{
"id": "oqmd-824454",
"created_at": "2022-09-04T15:22:18.861527Z",
"updated_at": "2022-09-04T15:22:18.861553Z",
"structure_string": "Li6 Pt4 O11\n1.0\n-5.135435 -8.994537 -0.101441\n-2.581262 4.504914 -0.061281\n1.644947 0.002919 -4.693213\nLi O Pt\n6 11 4\ndirect\n0.670541 0.656017 0.494772 Li\n0.827413 0.327838 0.495155 Li\n0.349381 0.353653 0.512039 Li\n0.172183 0.705853 0.518197 Li\n0.254506 0.511162 0.987217 Li\n0.744796 0.487778 0.992897 Li\n0.615282 0.233686 0.227329 O\n0.783253 0.911921 0.230220 O\n0.457175 0.569125 0.231133 O\n0.963421 0.543027 0.232805 O\n0.274389 0.932521 0.237415 O\n0.873174 0.743046 0.755608 O\n0.716720 0.079356 0.765836 O\n0.379567 0.765551 0.767562 O\n0.540936 0.434151 0.768225 O\n0.212450 0.096235 0.777789 O\n0.051296 0.425048 0.779202 O\n0.414585 0.165589 0.001587 Pt\n0.582667 0.839012 0.996882 Pt\n0.924891 0.145241 0.998175 Pt\n0.070996 0.833433 0.998666 Pt\n",
"nsites": 21,
"nelements": 3,
"elements": [
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"chemical_system": "Li-O-Pt",
"density": 7.560190006026017,
"density_atomic": 0.09580387417282228,
"volume": 219.19781617722194,
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"formula_full": "Li6 Pt4 O11",
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{
"id": "oqmd-824432",
"created_at": "2022-09-04T15:22:18.791191Z",
"updated_at": "2022-09-04T15:22:18.791221Z",
"structure_string": "Li6 Fe4 O11\n1.0\n-5.104262 -8.709163 -0.075907\n-2.462864 4.303874 0.091833\n1.755090 -0.053769 -4.719712\nFe Li O\n4 6 11\ndirect\n0.068360 0.828200 0.007585 Fe\n0.914945 0.171477 0.015973 Fe\n0.422575 0.183561 0.955900 Fe\n0.585158 0.838155 0.981359 Fe\n0.670590 0.659982 0.489423 Li\n0.990161 0.982443 0.502565 Li\n0.525582 0.013160 0.502892 Li\n0.151010 0.609934 0.537503 Li\n0.748400 0.503921 0.989760 Li\n0.252064 0.466418 0.995758 Li\n0.470883 0.591574 0.194559 O\n0.590224 0.215509 0.206860 O\n0.796602 0.943314 0.226262 O\n0.977809 0.597048 0.246660 O\n0.119305 0.212751 0.254215 O\n0.539103 0.434233 0.737741 O\n0.378137 0.793186 0.745325 O\n0.883036 0.788111 0.773008 O\n0.703681 0.068696 0.776472 O\n0.206947 0.041708 0.810332 O\n0.052371 0.438983 0.827008 O\n",
"nsites": 21,
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"elements": [
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],
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"density_atomic": 0.102914481374076,
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"formula_full": "Li6 Fe4 O11",
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{
"id": "oqmd-824471",
"created_at": "2022-09-04T15:22:18.854055Z",
"updated_at": "2022-09-04T15:22:18.854077Z",
"structure_string": "Li6 Zr4 O11\n1.0\n-5.803484 -9.692348 -0.036351\n-2.664545 4.708788 0.142787\n2.000733 -0.036485 -4.922373\nLi O Zr\n6 11 4\ndirect\n0.737050 0.679116 0.425845 Li\n0.483407 0.102800 0.504100 Li\n0.132194 0.587657 0.519283 Li\n0.025114 0.982656 0.528212 Li\n0.830387 0.318642 0.530117 Li\n0.296314 0.325373 0.556349 Li\n0.779932 0.953563 0.214528 O\n0.592391 0.207300 0.240729 O\n0.984220 0.581613 0.247297 O\n0.304775 0.029094 0.264341 O\n0.096269 0.200835 0.276742 O\n0.394478 0.786326 0.708540 O\n0.718053 0.027699 0.715074 O\n0.904520 0.773941 0.739673 O\n0.201181 0.026208 0.757758 O\n0.025947 0.403254 0.767223 O\n0.499385 0.435051 0.813635 O\n0.923534 0.155335 0.001359 Zr\n0.087073 0.830979 0.018702 Zr\n0.604379 0.890290 0.952066 Zr\n0.396502 0.113825 0.969571 Zr\n",
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"elements": [
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],
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"density": 3.732256844795168,
"density_atomic": 0.08102506691808645,
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"formula_full": "Li6 Zr4 O11",
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"spacegroup": 1
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{
"id": "oqmd-824469",
"created_at": "2022-09-04T15:22:18.896474Z",
"updated_at": "2022-09-04T15:22:18.896497Z",
"structure_string": "Li6 V4 O11\n1.0\n-5.150710 -8.615387 0.158189\n-2.561683 4.301468 -0.013722\n1.806358 0.052521 -4.768114\nLi O V\n6 11 4\ndirect\n0.752152 0.512169 0.025881 Li\n0.197107 0.750090 0.490197 Li\n0.495684 0.990095 0.492563 Li\n0.654540 0.617616 0.504888 Li\n0.982033 0.959871 0.517073 Li\n0.262325 0.500285 0.936526 Li\n0.285846 0.934975 0.216729 O\n0.462781 0.575999 0.219578 O\n0.982889 0.573683 0.229898 O\n0.609639 0.215945 0.232005 O\n0.798602 0.932563 0.235771 O\n0.199654 0.060589 0.766165 O\n0.387671 0.808956 0.766486 O\n0.702014 0.073729 0.770032 O\n0.542650 0.453509 0.788691 O\n0.041106 0.385052 0.796386 O\n0.904253 0.801731 0.820677 O\n0.587223 0.839454 0.017991 V\n0.083648 0.782687 0.967467 V\n0.887452 0.157091 0.980306 V\n0.412654 0.176159 0.996605 V\n",
"nsites": 21,
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"elements": [
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"O",
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],
"chemical_system": "Li-O-V",
"density": 3.3348641634376825,
"density_atomic": 0.10008021959554252,
"volume": 209.83167387989346,
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"formula_full": "Li6 V4 O11",
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{
"id": "oqmd-824456",
"created_at": "2022-09-04T15:22:18.919330Z",
"updated_at": "2022-09-04T15:22:18.919347Z",
"structure_string": "Li6 Rh4 O11\n1.0\n-5.169862 -8.982974 0.045969\n-2.481223 4.431085 -0.013073\n1.728174 0.039687 -4.707698\nLi O Rh\n6 11 4\ndirect\n0.828268 0.348399 0.492211 Li\n0.998439 0.001074 0.498988 Li\n0.688132 0.648210 0.499471 Li\n0.173235 0.650095 0.504364 Li\n0.308582 0.324195 0.522832 Li\n0.507797 0.047061 0.526834 Li\n0.971309 0.579475 0.237852 O\n0.786404 0.929469 0.241145 O\n0.296007 0.973638 0.241944 O\n0.606261 0.202667 0.244417 O\n0.111225 0.228682 0.245686 O\n0.705197 0.032326 0.744050 O\n0.528059 0.420768 0.746414 O\n0.391752 0.779627 0.747152 O\n0.889751 0.772309 0.754750 O\n0.028145 0.420236 0.761268 O\n0.211215 0.067757 0.762541 O\n0.084023 0.838169 0.001851 Rh\n0.418701 0.171926 0.992268 Rh\n0.581743 0.823022 0.994380 Rh\n0.913704 0.159506 0.998617 Rh\n",
"nsites": 21,
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"elements": [
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],
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"density": 4.914535004802627,
"density_atomic": 0.09876920039287732,
"volume": 212.6168878199646,
"volume_molar": 6.097184887642649,
"formula_full": "Li6 Rh4 O11",
"formula_reduced": "Li6Rh4O11",
"formula_anonymous": "A4B6C11",
"formation_energy": -1.41065339260316,
"spacegroup": 1
},
{
"id": "oqmd-824439",
"created_at": "2022-09-04T15:22:18.935218Z",
"updated_at": "2022-09-04T15:22:18.935238Z",
"structure_string": "Li6 Ir4 O11\n1.0\n-5.184706 -8.473128 -0.174660\n-2.605229 4.244120 -0.077531\n1.608246 -0.007949 -4.750217\nIr Li O\n4 6 11\ndirect\n0.423428 0.153822 0.003509 Ir\n0.073872 0.855764 0.010793 Ir\n0.929363 0.148023 0.997123 Ir\n0.574905 0.849589 0.997876 Ir\n0.670922 0.672770 0.499092 Li\n0.831212 0.328189 0.500728 Li\n0.348445 0.342615 0.509414 Li\n0.166334 0.689783 0.516801 Li\n0.248342 0.498822 0.982153 Li\n0.748997 0.496963 0.992734 Li\n0.775201 0.911097 0.215806 O\n0.446728 0.548081 0.217355 O\n0.271649 0.914460 0.224328 O\n0.964038 0.544404 0.224725 O\n0.628360 0.260121 0.250699 O\n0.369649 0.743399 0.743589 O\n0.873390 0.740395 0.747099 O\n0.042937 0.418528 0.770235 O\n0.716545 0.085847 0.773616 O\n0.546704 0.448905 0.781149 O\n0.220765 0.091997 0.786174 O\n",
"nsites": 21,
"nelements": 3,
"elements": [
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"Li",
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],
"chemical_system": "Ir-Li-O",
"density": 7.740453351371712,
"density_atomic": 0.09922845916107102,
"volume": 211.63283374089366,
"volume_molar": 6.068965305834949,
"formula_full": "Li6 Ir4 O11",
"formula_reduced": "Li6Ir4O11",
"formula_anonymous": "A4B6C11",
"formation_energy": -1.4180881506984,
"spacegroup": 1
},
{
"id": "oqmd-824627",
"created_at": "2022-09-04T15:22:19.158849Z",
"updated_at": "2022-09-04T15:22:19.158879Z",
"structure_string": "Sr1 Fe2 F6\n1.0\n4.427798 0.068371 -0.070546\n2.098219 4.347252 -0.029705\n0.852183 0.160266 5.947479\nF Fe Sr\n6 2 1\ndirect\n0.618849 0.652241 0.122074 F\n0.217632 0.321033 0.271177 F\n0.867749 0.965625 0.353400 F\n0.373436 0.836700 0.614363 F\n0.010649 0.481152 0.690365 F\n0.600982 0.200291 0.848546 F\n0.750122 0.542323 0.421913 Fe\n0.480889 0.227384 0.548182 Fe\n0.103978 0.761327 0.976760 Sr\n",
"nsites": 9,
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"elements": [
"F",
"Fe",
"Sr"
],
"chemical_system": "F-Fe-Sr",
"density": 4.5681705921351785,
"density_atomic": 0.07902686425110844,
"volume": 113.88532349458323,
"volume_molar": 7.6203716509168355,
"formula_full": "Sr1 Fe2 F6",
"formula_reduced": "SrFe2F6",
"formula_anonymous": "AB2C6",
"formation_energy": -2.78454581275407,
"spacegroup": 1
},
{
"id": "oqmd-824858",
"created_at": "2022-09-04T15:22:19.216317Z",
"updated_at": "2022-09-04T15:22:19.216339Z",
"structure_string": "Sn2 H2 O6\n1.0\n-2.653646 -5.217457 -0.404288\n-2.492056 5.140041 0.076129\n1.430733 -0.207037 -3.497467\nH O Sn\n2 6 2\ndirect\n0.380655 0.392720 0.007755 H\n0.565114 0.652394 0.580588 H\n0.265816 0.259516 0.158275 O\n0.912969 0.621382 0.276155 O\n0.479036 0.932463 0.304900 O\n0.495272 0.091838 0.678920 O\n0.062548 0.409609 0.696717 O\n0.712048 0.773102 0.824289 O\n0.870488 0.221633 0.114710 Sn\n0.097133 0.804270 0.857695 Sn\n",
"nsites": 10,
"nelements": 3,
"elements": [
"H",
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"Sn"
],
"chemical_system": "H-O-Sn",
"density": 5.842592931456678,
"density_atomic": 0.10489424884442339,
"volume": 95.33411135658885,
"volume_molar": 5.741154378188926,
"formula_full": "Sn2 H2 O6",
"formula_reduced": "SnHO3",
"formula_anonymous": "ABC3",
"formation_energy": -1.35061768733433,
"spacegroup": 1
}
]
}