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{
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"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=spacegroup&page=68",
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{
"id": "oqmd-825251",
"created_at": "2022-09-04T15:22:44.189775Z",
"updated_at": "2022-09-04T15:22:44.189797Z",
"structure_string": "Li6 Pt4 O11\n1.0\n-5.017928 -9.011637 0.198414\n-2.551603 4.529716 -0.059609\n1.757637 0.075535 -4.819272\nLi O Pt\n6 11 4\ndirect\n0.754078 0.528890 0.027459 Li\n0.831232 0.308717 0.467478 Li\n0.716680 0.698859 0.474937 Li\n0.151395 0.645836 0.513038 Li\n0.313953 0.327583 0.537402 Li\n0.234961 0.484027 0.955544 Li\n0.789316 0.919854 0.219172 O\n0.116585 0.255648 0.219708 O\n0.953073 0.559024 0.222451 O\n0.310428 0.993374 0.280355 O\n0.624541 0.263482 0.285544 O\n0.703671 0.017010 0.681114 O\n0.369946 0.746908 0.733254 O\n0.539920 0.385175 0.757104 O\n0.035423 0.441827 0.777342 O\n0.877914 0.752737 0.780039 O\n0.218837 0.098465 0.788134 O\n0.083598 0.845560 0.011905 Pt\n0.430695 0.201325 0.023202 Pt\n0.507749 0.995986 0.518550 Pt\n0.902136 0.150597 0.988785 Pt\n",
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{
"id": "oqmd-825226",
"created_at": "2022-09-04T15:22:44.238436Z",
"updated_at": "2022-09-04T15:22:44.238467Z",
"structure_string": "Ti4 H8 O11\n1.0\n-5.116538 -9.069410 -0.535185\n-2.420801 4.451630 0.194065\n1.625947 -0.199309 -4.504626\nH O Ti\n8 11 4\ndirect\n0.742518 0.664346 0.217066 H\n0.221811 0.461116 0.342991 H\n0.937015 0.669217 0.457096 H\n0.752948 0.004611 0.504223 H\n0.542875 0.286039 0.543759 H\n0.238569 0.084614 0.586411 H\n0.136077 0.376159 0.730343 H\n0.812724 0.539729 0.750996 H\n0.592139 0.171072 0.201945 O\n0.759636 0.878351 0.227571 O\n0.292865 0.973095 0.243358 O\n0.118369 0.249689 0.259557 O\n0.960448 0.593294 0.263740 O\n0.396221 0.730552 0.700676 O\n0.749316 0.094604 0.729656 O\n0.545240 0.397443 0.747684 O\n0.903087 0.760584 0.763856 O\n0.058023 0.419617 0.775676 O\n0.241134 0.124631 0.799941 O\n0.928070 0.181255 0.029509 Ti\n0.101059 0.840370 0.030851 Ti\n0.593227 0.843749 0.910385 Ti\n0.411138 0.078091 0.952470 Ti\n",
"nsites": 23,
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"elements": [
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],
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"volume": 202.05755181382963,
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"formula_full": "Ti4 H8 O11",
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"formula_anonymous": "A4B8C11",
"formation_energy": -1.9975353885776,
"spacegroup": 1
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{
"id": "oqmd-825102",
"created_at": "2022-09-04T15:22:44.244388Z",
"updated_at": "2022-09-04T15:22:44.244409Z",
"structure_string": "Ru4 O11\n1.0\n-5.261207 -8.640222 -0.173479\n-2.511108 4.254180 0.149493\n1.792483 -0.079886 -4.320884\nO Ru\n11 4\ndirect\n0.974503 0.534221 0.159983 O\n0.471767 0.623351 0.185595 O\n0.129628 0.235100 0.188107 O\n0.773811 0.935308 0.191281 O\n0.619853 0.310958 0.259328 O\n0.297540 0.910586 0.278121 O\n0.044520 0.374485 0.692923 O\n0.690400 0.998986 0.725407 O\n0.387056 0.705053 0.726827 O\n0.908478 0.756034 0.738398 O\n0.222146 0.088711 0.770762 O\n0.588582 0.946657 0.038048 Ru\n0.894770 0.099196 0.935537 Ru\n0.257334 0.523802 0.974035 Ru\n0.114954 0.820630 0.978132 Ru\n",
"nsites": 15,
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"elements": [
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"density": 5.088309525437094,
"density_atomic": 0.07921054851873369,
"volume": 189.36871768350935,
"volume_molar": 7.60270048953863,
"formula_full": "Ru4 O11",
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"spacegroup": 1
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{
"id": "oqmd-825068",
"created_at": "2022-09-04T15:22:44.451190Z",
"updated_at": "2022-09-04T15:22:44.451214Z",
"structure_string": "V4 O11\n1.0\n-5.162937 -8.881268 -0.131487\n-2.509774 4.400310 0.062407\n1.727481 -0.047542 -4.235003\nO V\n11 4\ndirect\n0.984107 0.578647 0.235803 O\n0.284904 0.981096 0.237142 O\n0.785323 0.942646 0.242920 O\n0.571917 0.094864 0.254201 O\n0.099330 0.196017 0.282385 O\n0.411062 0.764763 0.646507 O\n0.907273 0.824116 0.757333 O\n0.207790 0.051112 0.769673 O\n0.718362 0.070955 0.771592 O\n0.532150 0.433483 0.808774 O\n0.023178 0.435526 0.810460 O\n0.933796 0.172623 0.078909 V\n0.450766 0.065995 0.493995 V\n0.077887 0.851176 0.959810 V\n0.606205 0.855094 0.960950 V\n",
"nsites": 15,
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"elements": [
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"formula_full": "V4 O11",
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"spacegroup": 1
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{
"id": "oqmd-825109",
"created_at": "2022-09-04T15:22:44.253224Z",
"updated_at": "2022-09-04T15:22:44.253249Z",
"structure_string": "Ni4 O11\n1.0\n-4.133501 -7.632957 0.438954\n-2.590820 4.143564 0.379298\n2.076924 -0.220420 -4.226335\nNi O\n4 11\ndirect\n0.701701 0.264004 0.233706 Ni\n0.391035 0.530101 0.575244 Ni\n0.071295 0.738352 0.904999 Ni\n0.902627 0.080500 0.961894 Ni\n0.427550 0.811119 0.072574 O\n0.558357 0.452220 0.106326 O\n0.157598 0.216721 0.175417 O\n0.330466 0.926613 0.179404 O\n0.988421 0.592946 0.246304 O\n0.837390 0.047551 0.336164 O\n0.144307 0.810617 0.558680 O\n0.991100 0.250448 0.651896 O\n0.818969 0.601417 0.703306 O\n0.649884 0.965974 0.784493 O\n0.492862 0.327688 0.785093 O\n",
"nsites": 15,
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"elements": [
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"chemical_system": "Ni-O",
"density": 4.669351454068995,
"density_atomic": 0.1026840948422037,
"volume": 146.07909845288836,
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"formula_full": "Ni4 O11",
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"spacegroup": 1
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{
"id": "oqmd-824677",
"created_at": "2022-09-04T15:22:44.779528Z",
"updated_at": "2022-09-04T15:22:44.779546Z",
"structure_string": "Ce1 Sb4 S2\n1.0\n4.044924 -0.034330 -0.012940\n0.053873 4.101174 -0.010493\n0.259499 0.504074 12.655803\nCe S Sb\n1 2 4\ndirect\n0.860308 0.096664 0.648252 Ce\n0.356659 0.602943 0.588779 S\n0.361616 0.952100 0.810824 S\n0.124575 0.673223 0.076976 Sb\n0.330236 0.627927 0.296538 Sb\n0.847930 0.124582 0.373391 Sb\n0.550722 0.169277 0.980136 Sb\n",
"nsites": 7,
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"elements": [
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"density": 5.466105115256818,
"density_atomic": 0.0333325976471182,
"volume": 210.0046349254509,
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"formula_full": "Ce1 Sb4 S2",
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"spacegroup": 1
},
{
"id": "oqmd-825036",
"created_at": "2022-09-04T15:22:44.781467Z",
"updated_at": "2022-09-04T15:22:44.781488Z",
"structure_string": "Pd4 O12\n1.0\n-2.640231 -4.800468 0.568771\n-2.476844 4.725771 0.640550\n5.404744 0.020169 -8.720950\nO Pd\n12 4\ndirect\n0.057556 0.662967 0.138261 O\n0.706924 0.112404 0.144222 O\n0.447499 0.433912 0.161562 O\n0.308195 0.905088 0.334913 O\n0.893960 0.299318 0.335218 O\n0.579762 0.564270 0.337064 O\n0.007626 0.676185 0.656636 O\n0.689699 0.045478 0.660919 O\n0.418105 0.414950 0.675055 O\n0.293303 0.950721 0.838519 O\n0.938528 0.291170 0.844074 O\n0.632085 0.616630 0.858438 O\n0.993608 0.997797 0.242140 Pd\n0.167392 0.861623 0.515861 Pd\n0.857894 0.165755 0.516760 Pd\n0.164582 0.845046 0.990357 Pd\n",
"nsites": 16,
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"elements": [
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],
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"density": 5.655319982083621,
"density_atomic": 0.08822051542296869,
"volume": 181.3637102808664,
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"formula_full": "Pd4 O12",
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"formula_anonymous": "AB3",
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{
"id": "oqmd-825108",
"created_at": "2022-09-04T15:22:44.796603Z",
"updated_at": "2022-09-04T15:22:44.796626Z",
"structure_string": "Ni4 O11\n1.0\n-4.928624 -8.062740 0.162658\n-2.338908 3.962417 0.036444\n1.735560 0.044680 -4.019436\nNi O\n4 11\ndirect\n0.081563 0.836669 0.000000 Ni\n0.593484 0.848589 0.006812 Ni\n0.254562 0.502113 0.012575 Ni\n0.911798 0.171812 0.983441 Ni\n0.951866 0.595208 0.214351 O\n0.603602 0.242159 0.219338 O\n0.804611 0.951822 0.237821 O\n0.125951 0.268719 0.241337 O\n0.292546 0.927744 0.243073 O\n0.701313 0.057578 0.718947 O\n0.027029 0.408805 0.745912 O\n0.873334 0.751367 0.752354 O\n0.378417 0.713431 0.781053 O\n0.220027 0.081403 0.799745 O\n0.560451 0.425831 0.818670 O\n",
"nsites": 15,
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"elements": [
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],
"chemical_system": "Ni-O",
"density": 4.468133392651582,
"density_atomic": 0.09825909177576185,
"volume": 152.6576292220537,
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"formula_full": "Ni4 O11",
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"spacegroup": 1
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{
"id": "oqmd-825080",
"created_at": "2022-09-04T15:22:44.308361Z",
"updated_at": "2022-09-04T15:22:44.308397Z",
"structure_string": "Mo4 O11\n1.0\n-5.210230 -8.591139 -0.523215\n-2.662479 4.336857 0.167276\n1.707119 -0.232486 -4.515784\nMo O\n4 11\ndirect\n0.947150 0.213219 0.084992 Mo\n0.408954 0.059979 0.549356 Mo\n0.091542 0.814149 0.910199 Mo\n0.602187 0.884696 0.994469 Mo\n0.274316 0.896967 0.193088 O\n0.122175 0.224795 0.230618 O\n0.986719 0.611048 0.232874 O\n0.799787 0.975115 0.247411 O\n0.563514 0.097241 0.319151 O\n0.416458 0.765405 0.690289 O\n0.228868 0.015609 0.716501 O\n0.029384 0.403299 0.749480 O\n0.919141 0.829441 0.768178 O\n0.729485 0.113179 0.810487 O\n0.532461 0.450451 0.851283 O\n",
"nsites": 15,
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"elements": [
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{
"id": "oqmd-825252",
"created_at": "2022-09-04T15:22:44.321674Z",
"updated_at": "2022-09-04T15:22:44.321707Z",
"structure_string": "Li6 Os4 O11\n1.0\n-5.289496 -8.385234 0.176347\n-2.597206 4.168914 -0.119580\n1.737251 0.120704 -4.672639\nLi O Os\n6 11 4\ndirect\n0.192212 0.719719 0.431622 Li\n0.344355 0.334930 0.466245 Li\n0.656847 0.665947 0.522948 Li\n0.826265 0.341996 0.560453 Li\n0.247054 0.513619 0.960429 Li\n0.751649 0.495140 0.999206 Li\n0.291874 0.927302 0.194884 O\n0.442461 0.542705 0.196818 O\n0.620773 0.258929 0.261888 O\n0.777846 0.917404 0.262132 O\n0.963650 0.563604 0.279112 O\n0.221069 0.097577 0.698656 O\n0.363139 0.733612 0.711108 O\n0.028170 0.329721 0.778126 O\n0.543206 0.452548 0.784462 O\n0.887533 0.774714 0.788765 O\n0.714824 0.082333 0.801327 O\n0.940719 0.155966 0.070320 Os\n0.003142 0.979061 0.481122 Os\n0.413645 0.133466 0.979400 Os\n0.567406 0.853785 0.997260 Os\n",
"nsites": 21,
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"elements": [
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],
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"density": 7.921370886272047,
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"volume": 205.13319424352605,
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"formula_full": "Li6 Os4 O11",
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"formula_anonymous": "A4B6C11",
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"spacegroup": 1
},
{
"id": "oqmd-825118",
"created_at": "2022-09-04T15:22:44.324079Z",
"updated_at": "2022-09-04T15:22:44.324098Z",
"structure_string": "Ti4 O11\n1.0\n-6.669425 -10.582593 -1.332062\n-2.069423 4.474308 0.475217\n1.743887 -0.114225 -3.250371\nO Ti\n11 4\ndirect\n0.972481 0.486008 0.064865 O\n0.539027 0.468815 0.146756 O\n0.793670 0.055845 0.299738 O\n0.342838 0.947375 0.317895 O\n0.626223 0.452554 0.423103 O\n0.080206 0.316630 0.536415 O\n0.198297 0.488759 0.539672 O\n0.896740 0.791465 0.706985 O\n0.672164 0.107288 0.770069 O\n0.431125 0.630273 0.826275 O\n0.177408 0.042568 0.891022 O\n0.609515 0.993952 0.180758 Ti\n0.362776 0.292183 0.245578 Ti\n0.002411 0.648073 0.646060 Ti\n0.804756 0.973788 0.771627 Ti\n",
"nsites": 15,
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"elements": [
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"density": 3.6079111325029114,
"density_atomic": 0.08869237162193928,
"volume": 169.12390237955418,
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"formula_full": "Ti4 O11",
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"spacegroup": 1
},
{
"id": "oqmd-825260",
"created_at": "2022-09-04T15:22:44.352772Z",
"updated_at": "2022-09-04T15:22:44.352801Z",
"structure_string": "Li6 Ir4 O11\n1.0\n-5.238404 -8.389653 0.211674\n-2.658360 4.221675 -0.113773\n1.776629 0.113550 -4.686458\nIr Li O\n4 6 11\ndirect\n0.940727 0.158684 0.067794 Ir\n0.999342 0.970316 0.499464 Ir\n0.412646 0.149024 0.979179 Ir\n0.568881 0.842452 0.997128 Ir\n0.752371 0.487184 0.001459 Li\n0.192203 0.726840 0.430500 Li\n0.343481 0.328831 0.459811 Li\n0.655022 0.666037 0.521292 Li\n0.824374 0.338819 0.553175 Li\n0.249035 0.529236 0.964662 Li\n0.287152 0.923233 0.190646 O\n0.441803 0.545368 0.200930 O\n0.620075 0.259541 0.252731 O\n0.780952 0.918754 0.260627 O\n0.954069 0.550910 0.288651 O\n0.225308 0.109242 0.690238 O\n0.363479 0.736992 0.718180 O\n0.545931 0.452851 0.780327 O\n0.026124 0.330984 0.780840 O\n0.714390 0.081770 0.796551 O\n0.900549 0.780742 0.800021 O\n",
"nsites": 21,
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"elements": [
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],
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"density": 7.870436569307594,
"density_atomic": 0.10089477427816808,
"volume": 208.1376379524152,
"volume_molar": 5.968734062873155,
"formula_full": "Li6 Ir4 O11",
"formula_reduced": "Li6Ir4O11",
"formula_anonymous": "A4B6C11",
"formation_energy": -1.34698915307935,
"spacegroup": 1
}
]
}