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{
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{
"id": "oqmd-694463",
"created_at": "2022-09-04T15:17:59.931949Z",
"updated_at": "2022-09-04T15:17:59.931979Z",
"structure_string": "Co4 O11\n1.0\n-4.784594 -8.235927 0.121770\n-2.383285 4.112511 0.029296\n1.707540 0.017900 -4.200541\nCo O\n4 11\ndirect\n0.579728 0.832787 0.004352 Co\n0.892038 0.161422 0.972430 Co\n0.086310 0.807660 0.981712 Co\n0.417433 0.165690 0.999175 Co\n0.795732 0.947583 0.227165 O\n0.467283 0.584126 0.227969 O\n0.982508 0.580806 0.237604 O\n0.613026 0.226333 0.241035 O\n0.291078 0.967610 0.245443 O\n0.695108 0.051666 0.743758 O\n0.383061 0.771220 0.765456 O\n0.209013 0.059958 0.765620 O\n0.532319 0.419830 0.774234 O\n0.036283 0.395200 0.782624 O\n0.906268 0.802484 0.796892 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
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],
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"density": 4.173060817896943,
"density_atomic": 0.0915563335835267,
"volume": 163.8335592186588,
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"formula_full": "Co4 O11",
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{
"id": "oqmd-694335",
"created_at": "2022-09-04T15:17:59.935897Z",
"updated_at": "2022-09-04T15:17:59.935923Z",
"structure_string": "Li8 Mn2 Sn2 O11\n1.0\n-5.088104 -8.999695 -0.054273\n-2.540277 4.497692 -0.040913\n1.662119 0.008314 -4.788513\nLi Mn O Sn\n8 2 11 2\ndirect\n0.749780 0.493801 0.001569 Li\n0.175967 0.654868 0.495149 Li\n0.832189 0.328337 0.499867 Li\n0.991688 0.024467 0.502830 Li\n0.490454 0.035930 0.504785 Li\n0.322458 0.323714 0.517034 Li\n0.688156 0.658743 0.519982 Li\n0.235768 0.493401 0.964231 Li\n0.915061 0.165789 0.003822 Mn\n0.420222 0.170378 0.991789 Mn\n0.299851 0.950996 0.233784 O\n0.110418 0.239110 0.234792 O\n0.608351 0.239664 0.235323 O\n0.959369 0.552207 0.235770 O\n0.797980 0.933226 0.236397 O\n0.380607 0.748520 0.736738 O\n0.538047 0.407826 0.755728 O\n0.030876 0.411366 0.769774 O\n0.886484 0.789667 0.771081 O\n0.224632 0.094042 0.772624 O\n0.721316 0.073225 0.773189 O\n0.084821 0.839022 0.003669 Sn\n0.575408 0.816167 0.006056 Sn\n",
"nsites": 23,
"nelements": 4,
"elements": [
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"O",
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],
"chemical_system": "Li-Mn-O-Sn",
"density": 4.367378792193809,
"density_atomic": 0.10451002551808447,
"volume": 220.07458027096231,
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"formula_full": "Li8 Mn2 Sn2 O11",
"formula_reduced": "Li8Mn2Sn2O11",
"formula_anonymous": "A2B2C8D11",
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"spacegroup": 1
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{
"id": "oqmd-694126",
"created_at": "2022-09-04T15:17:59.844816Z",
"updated_at": "2022-09-04T15:17:59.844842Z",
"structure_string": "Li8 Ag4 O11\n1.0\n-5.288247 -9.150467 -0.169534\n-2.578688 4.537124 0.032195\n1.723899 -0.048811 -4.793515\nAg Li O\n4 8 11\ndirect\n0.927913 0.165989 0.013652 Ag\n0.085920 0.848812 0.030283 Ag\n0.412461 0.163067 0.984340 Ag\n0.586876 0.841881 0.987900 Ag\n0.665368 0.679034 0.484070 Li\n0.499621 0.005432 0.493926 Li\n0.360376 0.366161 0.507061 Li\n0.977825 0.949229 0.512740 Li\n0.843876 0.314747 0.526899 Li\n0.159553 0.691025 0.532993 Li\n0.252341 0.517097 0.957715 Li\n0.743106 0.488764 0.985896 Li\n0.610028 0.233004 0.227017 O\n0.461239 0.576955 0.228321 O\n0.281473 0.924094 0.259584 O\n0.807806 0.933477 0.260146 O\n0.969484 0.575567 0.261534 O\n0.358935 0.755043 0.711711 O\n0.686780 0.069483 0.722563 O\n0.549450 0.443013 0.740862 O\n0.041107 0.363484 0.743219 O\n0.207529 0.094149 0.783437 O\n0.886874 0.752379 0.785064 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
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"Li",
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],
"chemical_system": "Ag-Li-O",
"density": 4.809432436566249,
"density_atomic": 0.10047611573835444,
"volume": 228.91012287828997,
"volume_molar": 5.993604266791125,
"formula_full": "Li8 Ag4 O11",
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"formula_anonymous": "A4B8C11",
"formation_energy": -1.14739819802897,
"spacegroup": 1
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{
"id": "oqmd-694288",
"created_at": "2022-09-04T15:17:59.853283Z",
"updated_at": "2022-09-04T15:17:59.853309Z",
"structure_string": "Li8 Mn2 Nb2 O11\n1.0\n-5.219030 -9.099427 -0.044656\n-2.567678 4.525874 0.014676\n1.748891 -0.012960 -4.812693\nLi Mn Nb O\n8 2 2 11\ndirect\n0.756810 0.522544 0.004219 Li\n0.703709 0.645984 0.494153 Li\n0.838102 0.339005 0.496098 Li\n0.490755 0.056451 0.496964 Li\n0.169773 0.646642 0.501334 Li\n0.010085 0.011528 0.518256 Li\n0.306996 0.299059 0.533304 Li\n0.229702 0.486822 0.981224 Li\n0.926520 0.173460 0.016733 Mn\n0.411841 0.147855 0.991368 Mn\n0.082738 0.830324 0.009463 Nb\n0.596419 0.861275 0.949044 Nb\n0.760761 0.891921 0.230220 O\n0.613805 0.210915 0.231728 O\n0.960972 0.596775 0.243308 O\n0.283774 0.915030 0.251187 O\n0.129151 0.236854 0.255840 O\n0.702212 0.083788 0.729145 O\n0.536110 0.436108 0.752464 O\n0.043012 0.438906 0.757977 O\n0.888362 0.756760 0.762412 O\n0.382538 0.735220 0.766244 O\n0.208106 0.088143 0.783966 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
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],
"chemical_system": "Li-Mn-Nb-O",
"density": 3.8695406785541944,
"density_atomic": 0.1016609842030958,
"volume": 226.24215356848373,
"volume_molar": 5.92374823754324,
"formula_full": "Li8 Mn2 Nb2 O11",
"formula_reduced": "Li8Mn2Nb2O11",
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"spacegroup": 1
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{
"id": "oqmd-694209",
"created_at": "2022-09-04T15:17:59.861278Z",
"updated_at": "2022-09-04T15:17:59.861296Z",
"structure_string": "Li8 Pm4 O11\n1.0\n-5.804378 -10.030564 0.055906\n-2.967582 5.056680 -0.039355\n1.977349 0.013212 -4.770928\nLi O Pm\n8 11 4\ndirect\n0.782604 0.560311 0.038003 Li\n0.437471 0.908890 0.394696 Li\n0.344204 0.346261 0.455124 Li\n0.225068 0.821103 0.462821 Li\n0.747521 0.142582 0.533783 Li\n0.701740 0.581390 0.542570 Li\n0.931415 0.961235 0.568508 Li\n0.247239 0.481403 0.861850 Li\n0.417612 0.570827 0.178943 O\n0.287083 0.961456 0.197955 O\n0.766090 0.864959 0.285856 O\n0.611123 0.191448 0.305524 O\n0.025148 0.671169 0.363385 O\n0.540282 0.437762 0.687821 O\n0.366697 0.776651 0.691389 O\n0.225640 0.122767 0.698412 O\n0.038679 0.342223 0.777133 O\n0.887204 0.795217 0.841449 O\n0.760474 0.199426 0.900141 O\n0.440163 0.213466 0.006994 Pm\n0.939641 0.207418 0.138147 Pm\n0.074768 0.761173 0.862567 Pm\n0.579009 0.834607 0.954870 Pm\n",
"nsites": 23,
"nelements": 3,
"elements": [
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],
"chemical_system": "Li-O-Pm",
"density": 4.774169533872137,
"density_atomic": 0.0814847990410846,
"volume": 282.26123486422796,
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"formula_full": "Li8 Pm4 O11",
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"formula_anonymous": "A4B8C11",
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"spacegroup": 1
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{
"id": "oqmd-694185",
"created_at": "2022-09-04T15:17:59.868921Z",
"updated_at": "2022-09-04T15:17:59.868942Z",
"structure_string": "Li8 Mg4 O11\n1.0\n-5.157641 -8.847828 -0.135912\n-2.592422 4.431383 -0.000097\n1.691614 -0.037651 -4.519884\nLi Mg O\n8 4 11\ndirect\n0.749211 0.505054 0.003574 Li\n0.498454 0.996759 0.497315 Li\n0.826418 0.351320 0.500255 Li\n0.671172 0.655811 0.503202 Li\n0.178884 0.701760 0.514148 Li\n0.985856 0.971403 0.515683 Li\n0.347770 0.340801 0.518916 Li\n0.256299 0.509101 0.964746 Li\n0.416483 0.162121 0.000425 Mg\n0.581844 0.832726 0.003108 Mg\n0.082582 0.796647 0.979136 Mg\n0.900781 0.170507 0.984826 Mg\n0.286128 0.906030 0.238759 O\n0.622527 0.247585 0.240005 O\n0.449173 0.570261 0.240899 O\n0.793385 0.927430 0.254794 O\n0.968493 0.591035 0.256963 O\n0.041810 0.396523 0.733899 O\n0.375604 0.748141 0.738430 O\n0.701900 0.081732 0.743261 O\n0.543445 0.420329 0.759327 O\n0.208387 0.089741 0.763763 O\n0.890853 0.782101 0.806595 O\n",
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"elements": [
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"chemical_system": "Li-Mg-O",
"density": 2.6246491243415053,
"density_atomic": 0.11058483932681513,
"volume": 207.9851102557315,
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"formula_full": "Li8 Mg4 O11",
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"spacegroup": 1
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{
"id": "oqmd-694194",
"created_at": "2022-09-04T15:17:59.889973Z",
"updated_at": "2022-09-04T15:17:59.889999Z",
"structure_string": "Li8 Nb4 O11\n1.0\n-5.236673 -8.862587 -0.100760\n-2.613284 4.428251 -0.042794\n1.687545 -0.003232 -4.904420\nLi Nb O\n8 4 11\ndirect\n0.751933 0.506817 0.001117 Li\n0.987066 0.979201 0.491066 Li\n0.498191 0.992379 0.498332 Li\n0.672695 0.660722 0.499114 Li\n0.827149 0.337380 0.500281 Li\n0.339017 0.347164 0.501895 Li\n0.170402 0.672355 0.504524 Li\n0.254665 0.508638 0.982698 Li\n0.426640 0.152244 0.000000 Nb\n0.926641 0.159977 0.001712 Nb\n0.078982 0.859104 0.002236 Nb\n0.576602 0.851022 0.999240 Nb\n0.462342 0.585358 0.229618 O\n0.293329 0.935207 0.232562 O\n0.793114 0.930386 0.236509 O\n0.970906 0.589049 0.239994 O\n0.628720 0.257329 0.265044 O\n0.367890 0.737493 0.732032 O\n0.871140 0.739975 0.745611 O\n0.699291 0.055595 0.759698 O\n0.532112 0.407201 0.765175 O\n0.035579 0.404411 0.771284 O\n0.207071 0.073947 0.773920 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
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],
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"density": 4.379092383211297,
"density_atomic": 0.10056334981577648,
"volume": 228.71155388254314,
"volume_molar": 5.98840509095217,
"formula_full": "Li8 Nb4 O11",
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"formula_anonymous": "A4B8C11",
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"spacegroup": 1
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{
"id": "oqmd-694183",
"created_at": "2022-09-04T15:17:59.889706Z",
"updated_at": "2022-09-04T15:17:59.889741Z",
"structure_string": "Li8 Lu4 O11\n1.0\n-5.541479 -9.424549 -0.033007\n-2.777259 4.716060 -0.011764\n1.855347 -0.003517 -4.808822\nLi Lu O\n8 4 11\ndirect\n0.196023 0.747956 0.498347 Li\n0.497598 0.998430 0.501388 Li\n0.363290 0.378086 0.503625 Li\n0.808665 0.331391 0.504789 Li\n0.676517 0.642956 0.506820 Li\n0.971963 0.945294 0.515209 Li\n0.251466 0.479921 0.911472 Li\n0.742289 0.496830 0.990485 Li\n0.901589 0.152260 0.000000 Lu\n0.416647 0.173556 0.001785 Lu\n0.580726 0.835505 0.007506 Lu\n0.079875 0.782660 0.969131 Lu\n0.446774 0.582545 0.234026 O\n0.620574 0.247069 0.253457 O\n0.291839 0.964954 0.260899 O\n0.791226 0.917487 0.260998 O\n0.980656 0.592722 0.270241 O\n0.375273 0.758700 0.736839 O\n0.204250 0.076933 0.755138 O\n0.542622 0.426798 0.756480 O\n0.710221 0.087306 0.763360 O\n0.048051 0.384566 0.777750 O\n0.879862 0.752068 0.778594 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
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"Lu",
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],
"chemical_system": "Li-Lu-O",
"density": 6.1364582341098055,
"density_atomic": 0.09125679883496023,
"volume": 252.03601587642765,
"volume_molar": 6.599114626945401,
"formula_full": "Li8 Lu4 O11",
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"formula_anonymous": "A4B8C11",
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"spacegroup": 1
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{
"id": "oqmd-694327",
"created_at": "2022-09-04T15:17:59.923714Z",
"updated_at": "2022-09-04T15:17:59.923750Z",
"structure_string": "Li8 Mn2 Mo2 O11\n1.0\n-5.036156 -8.913233 -0.036999\n-2.601399 4.504518 0.008886\n1.728581 -0.030593 -4.792214\nLi Mn Mo O\n8 2 2 11\ndirect\n0.736098 0.493310 0.001736 Li\n0.001952 0.004855 0.492347 Li\n0.667272 0.651259 0.492601 Li\n0.336413 0.369783 0.502559 Li\n0.820862 0.319452 0.504397 Li\n0.170547 0.639335 0.521726 Li\n0.517379 0.021298 0.522566 Li\n0.246972 0.469169 0.975016 Li\n0.917369 0.166429 0.005894 Mn\n0.406131 0.159081 0.993581 Mn\n0.579915 0.830556 0.001925 Mo\n0.073483 0.825622 0.982868 Mo\n0.462251 0.607459 0.235124 O\n0.129565 0.223440 0.237325 O\n0.611909 0.224166 0.241033 O\n0.779681 0.913624 0.244430 O\n0.996034 0.624435 0.249093 O\n0.889127 0.759947 0.738616 O\n0.202500 0.064155 0.752739 O\n0.383092 0.753814 0.754527 O\n0.539150 0.438719 0.755590 O\n0.053744 0.450884 0.774452 O\n0.701665 0.079542 0.777790 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Li-Mn-Mo-O",
"density": 4.0255505592327925,
"density_atomic": 0.10455643619782413,
"volume": 219.97689321089007,
"volume_molar": 5.759703542884644,
"formula_full": "Li8 Mn2 Mo2 O11",
"formula_reduced": "Li8Mn2Mo2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -2.10756599909087,
"spacegroup": 1
},
{
"id": "oqmd-694158",
"created_at": "2022-09-04T15:17:59.949076Z",
"updated_at": "2022-09-04T15:17:59.949102Z",
"structure_string": "Li8 Er4 O11\n1.0\n-5.543108 -9.847699 -0.032787\n-2.737425 4.904692 -0.068743\n1.792960 0.032001 -4.758301\nEr Li O\n4 8 11\ndirect\n0.917479 0.166093 0.003213 Er\n0.086674 0.841771 0.007879 Er\n0.589935 0.841125 0.968839 Er\n0.413268 0.130309 0.973222 Er\n0.756203 0.503219 0.013302 Li\n0.179586 0.625745 0.485301 Li\n0.701310 0.635980 0.494308 Li\n0.991133 0.983971 0.495789 Li\n0.821979 0.352735 0.505935 Li\n0.526078 0.090957 0.514583 Li\n0.299057 0.331646 0.535073 Li\n0.225702 0.483141 0.964134 Li\n0.620037 0.238220 0.235911 O\n0.779937 0.887247 0.239038 O\n0.121052 0.243480 0.257225 O\n0.294967 0.915804 0.260741 O\n0.959503 0.579295 0.264962 O\n0.531329 0.418851 0.723842 O\n0.708934 0.091028 0.738950 O\n0.043085 0.427769 0.748026 O\n0.373326 0.738053 0.752919 O\n0.880702 0.756762 0.759809 O\n0.224750 0.137491 0.801939 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Er",
"Li",
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],
"chemical_system": "Er-Li-O",
"density": 5.770913410031443,
"density_atomic": 0.08875889713002096,
"volume": 259.12895206784515,
"volume_molar": 6.784830540625463,
"formula_full": "Li8 Er4 O11",
"formula_reduced": "Li8Er4O11",
"formula_anonymous": "A4B8C11",
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"spacegroup": 1
},
{
"id": "oqmd-694304",
"created_at": "2022-09-04T15:18:00.065082Z",
"updated_at": "2022-09-04T15:18:00.065109Z",
"structure_string": "Li8 Mn2 Te2 O11\n1.0\n-5.218519 -9.170192 -0.011204\n-2.595960 4.577361 -0.021895\n1.741674 0.011240 -4.793312\nLi Mn O Te\n8 2 11 2\ndirect\n0.749577 0.494860 0.013203 Li\n0.991550 0.988688 0.485086 Li\n0.832901 0.336852 0.491907 Li\n0.176132 0.656141 0.491919 Li\n0.690905 0.654911 0.520035 Li\n0.317341 0.314689 0.522435 Li\n0.515180 0.053206 0.532044 Li\n0.231983 0.493349 0.964772 Li\n0.911756 0.164761 0.001262 Mn\n0.421311 0.153872 0.987800 Mn\n0.971094 0.612971 0.230538 O\n0.275529 0.916542 0.231841 O\n0.126361 0.223859 0.234444 O\n0.624036 0.233923 0.250607 O\n0.783228 0.915111 0.252178 O\n0.541271 0.434590 0.737348 O\n0.381136 0.744591 0.737435 O\n0.043193 0.460714 0.757553 O\n0.895043 0.759722 0.759841 O\n0.204388 0.085899 0.777502 O\n0.687390 0.043071 0.780724 O\n0.574144 0.807350 0.013915 Te\n0.085112 0.841243 0.997832 Te\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"Te"
],
"chemical_system": "Li-Mn-O-Te",
"density": 4.32527125134393,
"density_atomic": 0.10041779141994814,
"volume": 229.043077673495,
"volume_molar": 5.997085451536522,
"formula_full": "Li8 Mn2 Te2 O11",
"formula_reduced": "Li8Mn2Te2O11",
"formula_anonymous": "A2B2C8D11",
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"spacegroup": 1
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{
"id": "oqmd-694222",
"created_at": "2022-09-04T15:18:00.105341Z",
"updated_at": "2022-09-04T15:18:00.105372Z",
"structure_string": "Li8 Rh4 O11\n1.0\n-5.113915 -8.636048 -0.006852\n-2.562544 4.321387 -0.011441\n1.723441 0.003234 -4.771828\nLi O Rh\n8 11 4\ndirect\n0.985973 0.970151 0.494531 Li\n0.497654 0.996863 0.498160 Li\n0.666735 0.659304 0.499244 Li\n0.831166 0.327295 0.501554 Li\n0.347498 0.352174 0.512424 Li\n0.172387 0.698528 0.517728 Li\n0.254292 0.514006 0.970958 Li\n0.748624 0.490849 0.999374 Li\n0.456061 0.578971 0.236350 O\n0.791324 0.919463 0.237351 O\n0.968839 0.570604 0.240755 O\n0.285084 0.935069 0.240769 O\n0.619763 0.241545 0.247530 O\n0.376676 0.758648 0.744188 O\n0.876921 0.749123 0.752502 O\n0.041222 0.410557 0.763464 O\n0.207283 0.090753 0.764301 O\n0.709689 0.072359 0.765354 O\n0.541393 0.422196 0.765390 O\n0.582829 0.837456 0.001047 Rh\n0.924562 0.154880 0.001107 Rh\n0.416346 0.169035 0.001187 Rh\n0.078927 0.842663 0.002198 Rh\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"O",
"Rh"
],
"chemical_system": "Li-O-Rh",
"density": 5.05481902254264,
"density_atomic": 0.10886205605992895,
"volume": 211.2765533965151,
"volume_molar": 5.531900625397697,
"formula_full": "Li8 Rh4 O11",
"formula_reduced": "Li8Rh4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -1.56836508802897,
"spacegroup": 1
}
]
}