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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=spacegroup&page=31",
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"results": [
{
"id": "oqmd-694141",
"created_at": "2022-09-04T15:17:59.636516Z",
"updated_at": "2022-09-04T15:17:59.636535Z",
"structure_string": "Li8 Ca4 O11\n1.0\n-6.078288 -10.146298 0.239490\n-3.348986 5.260310 -0.086445\n2.067939 0.013987 -3.808365\nCa Li O\n4 8 11\ndirect\n0.428834 0.206598 0.009816 Ca\n0.064840 0.720844 0.045512 Ca\n0.585472 0.892825 0.046987 Ca\n0.942793 0.158745 0.085167 Ca\n0.346597 0.790587 0.333220 Li\n0.900218 0.756746 0.384728 Li\n0.308399 0.415817 0.427998 Li\n0.822030 0.394349 0.477105 Li\n0.705444 0.662180 0.505748 Li\n0.177348 0.642429 0.568196 Li\n0.707678 0.390568 0.814646 Li\n0.255968 0.431339 0.877120 Li\n0.155755 0.442229 0.124303 O\n0.650956 0.319824 0.154962 O\n0.462013 0.619588 0.303647 O\n0.300668 0.060554 0.356644 O\n0.803398 0.974380 0.397387 O\n0.994736 0.566287 0.451526 O\n0.225554 0.118943 0.565940 O\n0.536063 0.553413 0.576156 O\n0.767053 0.120706 0.655404 O\n0.359624 0.773052 0.854009 O\n0.866036 0.722951 0.888552 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
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"Li",
"O"
],
"chemical_system": "Ca-Li-O",
"density": 2.598824366276011,
"density_atomic": 0.09186587499731504,
"volume": 250.36500224563497,
"volume_molar": 6.555362108264912,
"formula_full": "Li8 Ca4 O11",
"formula_reduced": "Li8Ca4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -2.07201925020288,
"spacegroup": 1
},
{
"id": "oqmd-694240",
"created_at": "2022-09-04T15:17:59.613819Z",
"updated_at": "2022-09-04T15:17:59.613845Z",
"structure_string": "Li8 Tb4 O11\n1.0\n-5.131914 -10.605094 -0.148041\n-2.549227 5.290892 -0.078173\n1.622673 0.008303 -4.848776\nLi O Tb\n8 11 4\ndirect\n0.290056 0.564192 0.261941 Li\n0.934237 0.872177 0.392170 Li\n0.802169 0.333411 0.440578 Li\n0.114949 0.599737 0.443073 Li\n0.690897 0.609668 0.476324 Li\n0.556367 0.071329 0.520692 Li\n0.218044 0.397141 0.675883 Li\n0.750647 0.455427 0.954606 Li\n0.757531 0.828325 0.183589 O\n0.600030 0.160202 0.190563 O\n0.947640 0.557390 0.229340 O\n0.272805 0.877711 0.262627 O\n0.090330 0.229515 0.297264 O\n0.397812 0.750843 0.635542 O\n0.721815 0.080831 0.701122 O\n0.902384 0.793230 0.729052 O\n0.573900 0.410773 0.733104 O\n0.128233 0.586722 0.816317 O\n0.321473 0.336025 0.967333 O\n0.100393 0.916334 0.030926 Tb\n0.557185 0.756464 0.918291 Tb\n0.400243 0.058745 0.932455 Tb\n0.922235 0.180459 0.948238 Tb\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"O",
"Tb"
],
"chemical_system": "Li-O-Tb",
"density": 5.426855273231269,
"density_atomic": 0.08667548709159181,
"volume": 265.35760884384086,
"volume_molar": 6.947916835628829,
"formula_full": "Li8 Tb4 O11",
"formula_reduced": "Li8Tb4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -2.45536851840578,
"spacegroup": 1
},
{
"id": "oqmd-694307",
"created_at": "2022-09-04T15:17:59.762432Z",
"updated_at": "2022-09-04T15:17:59.762466Z",
"structure_string": "Li8 Mn2 Rh2 O11\n1.0\n-5.069075 -8.736204 0.008202\n-2.478792 4.335749 0.009284\n1.714091 0.008138 -4.726856\nLi Mn O Rh\n8 2 11 2\ndirect\n0.751720 0.498785 0.001535 Li\n0.996893 0.997214 0.495426 Li\n0.166961 0.658564 0.497272 Li\n0.832013 0.332075 0.497518 Li\n0.689057 0.658906 0.507489 Li\n0.311975 0.299705 0.519400 Li\n0.505161 0.042959 0.519688 Li\n0.233327 0.494578 0.981183 Li\n0.083202 0.835832 0.000859 Mn\n0.589353 0.834689 0.988820 Mn\n0.966554 0.594817 0.231412 O\n0.780096 0.907660 0.234353 O\n0.285742 0.922638 0.237866 O\n0.122178 0.232999 0.238963 O\n0.615551 0.209959 0.239550 O\n0.708579 0.070457 0.749131 O\n0.536422 0.432845 0.754880 O\n0.040244 0.438506 0.762744 O\n0.889307 0.760783 0.763259 O\n0.391080 0.764967 0.771193 O\n0.206008 0.082510 0.776786 O\n0.416758 0.170930 0.002227 Rh\n0.915600 0.166945 0.996970 Rh\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"Rh"
],
"chemical_system": "Li-Mn-O-Rh",
"density": 4.409919348858437,
"density_atomic": 0.11162373715542401,
"volume": 206.04936356838672,
"volume_molar": 5.395035960509742,
"formula_full": "Li8 Mn2 Rh2 O11",
"formula_reduced": "Li8Mn2Rh2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -1.81137291604739,
"spacegroup": 1
},
{
"id": "oqmd-694350",
"created_at": "2022-09-04T15:17:59.622088Z",
"updated_at": "2022-09-04T15:17:59.622110Z",
"structure_string": "Li8 Mn2 Co2 O11\n1.0\n-5.042916 -8.658823 -0.028163\n-2.477167 4.303890 0.022075\n1.704179 -0.011161 -4.713362\nCo Li Mn O\n2 8 2 11\ndirect\n0.076912 0.827658 0.004628 Co\n0.598677 0.853950 0.984266 Co\n0.755618 0.508359 0.002744 Li\n0.996991 0.000977 0.495391 Li\n0.162573 0.651492 0.495719 Li\n0.700364 0.684646 0.498347 Li\n0.838153 0.337703 0.501033 Li\n0.307680 0.305090 0.519881 Li\n0.505229 0.054020 0.520805 Li\n0.229872 0.484916 0.982051 Li\n0.920669 0.169647 0.000105 Mn\n0.405038 0.118819 0.982600 Mn\n0.603311 0.208555 0.226573 O\n0.793199 0.930201 0.228738 O\n0.964042 0.572982 0.233947 O\n0.115010 0.242643 0.238158 O\n0.300969 0.946160 0.239188 O\n0.380377 0.763078 0.749589 O\n0.716544 0.074612 0.751911 O\n0.886188 0.777087 0.764248 O\n0.032438 0.406864 0.768290 O\n0.219394 0.082950 0.785461 O\n0.527010 0.425402 0.795309 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.7516590644792265,
"density_atomic": 0.11314615825775894,
"volume": 203.27689737024534,
"volume_molar": 5.322443866172571,
"formula_full": "Li8 Mn2 Co2 O11",
"formula_reduced": "Li8Mn2Co2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -1.85959368969397,
"spacegroup": 1
},
{
"id": "oqmd-694260",
"created_at": "2022-09-04T15:17:59.626082Z",
"updated_at": "2022-09-04T15:17:59.626109Z",
"structure_string": "Li8 W4 O11\n1.0\n-5.166604 -8.492620 -0.053722\n-2.578718 4.243557 -0.031396\n1.689265 0.003554 -4.923290\nLi O W\n8 11 4\ndirect\n0.989633 0.976885 0.491570 Li\n0.497946 0.997294 0.494451 Li\n0.334463 0.343094 0.495620 Li\n0.670846 0.667526 0.505632 Li\n0.164537 0.660291 0.511751 Li\n0.827939 0.327495 0.512905 Li\n0.244036 0.486719 0.970613 Li\n0.750701 0.500673 0.999811 Li\n0.788608 0.931928 0.225399 O\n0.461884 0.581490 0.225999 O\n0.290588 0.938315 0.232873 O\n0.972821 0.577689 0.237936 O\n0.634417 0.273354 0.267570 O\n0.364411 0.733313 0.723165 O\n0.876513 0.744923 0.749181 O\n0.030775 0.397198 0.761955 O\n0.700988 0.067863 0.763827 O\n0.536985 0.422101 0.766292 O\n0.209985 0.067916 0.767545 O\n0.939422 0.155933 0.016078 W\n0.079982 0.871302 0.016818 W\n0.570831 0.860258 0.995110 W\n0.429117 0.151304 0.996203 W\n",
"nsites": 23,
"nelements": 3,
"elements": [
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"O",
"W"
],
"chemical_system": "Li-O-W",
"density": 7.412557729846972,
"density_atomic": 0.10618755509128545,
"volume": 216.59788644938442,
"volume_molar": 5.671230263116042,
"formula_full": "Li8 W4 O11",
"formula_reduced": "Li8W4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -2.06780300933332,
"spacegroup": 1
},
{
"id": "oqmd-694203",
"created_at": "2022-09-04T15:17:59.665803Z",
"updated_at": "2022-09-04T15:17:59.665830Z",
"structure_string": "Li8 Pa4 O11\n1.0\n-6.894255 -10.265895 -0.307077\n-2.867365 4.808612 0.339875\n2.288667 -0.132240 -4.771765\nLi O Pa\n8 11 4\ndirect\n0.256435 0.509551 0.011427 Li\n0.715888 0.637541 0.419964 Li\n0.931009 0.950075 0.476762 Li\n0.251869 0.736073 0.485395 Li\n0.782609 0.214262 0.511339 Li\n0.263268 0.270235 0.529172 Li\n0.575938 0.097168 0.567955 Li\n0.799914 0.578932 0.969457 Li\n0.772649 0.879862 0.197449 O\n0.258763 0.905789 0.218685 O\n0.132635 0.304363 0.221490 O\n0.980988 0.706207 0.243087 O\n0.618563 0.205665 0.278258 O\n0.977362 0.346996 0.693578 O\n0.876721 0.789612 0.738881 O\n0.505907 0.305929 0.770590 O\n0.368669 0.704958 0.795542 O\n0.242156 0.104738 0.797480 O\n0.734013 0.154819 0.824112 O\n0.926552 0.236787 0.083568 Pa\n0.422350 0.167456 0.093420 Pa\n0.575174 0.777805 0.908977 Pa\n0.078705 0.839844 0.919606 Pa\n",
"nsites": 23,
"nelements": 3,
"elements": [
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"Pa"
],
"chemical_system": "Li-O-Pa",
"density": 6.535697638427338,
"density_atomic": 0.07833191792403323,
"volume": 293.6223267545363,
"volume_molar": 7.687978182584919,
"formula_full": "Li8 Pa4 O11",
"formula_reduced": "Li8Pa4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -2.37519334759419,
"spacegroup": 1
},
{
"id": "oqmd-694314",
"created_at": "2022-09-04T15:17:59.845676Z",
"updated_at": "2022-09-04T15:17:59.845694Z",
"structure_string": "Li8 Ta2 Mn2 O11\n1.0\n-5.255688 -8.921625 0.066098\n-2.642957 4.469564 -0.011389\n1.805985 0.021071 -4.829124\nLi Mn O Ta\n8 2 11 2\ndirect\n0.746604 0.495995 0.009548 Li\n0.371931 0.393705 0.485252 Li\n0.669822 0.651333 0.503726 Li\n0.502936 0.020027 0.504082 Li\n0.192582 0.746517 0.508787 Li\n0.804734 0.287941 0.512688 Li\n0.972635 0.947870 0.514804 Li\n0.260982 0.486383 0.926676 Li\n0.905689 0.149526 0.018476 Mn\n0.418531 0.176065 0.995610 Mn\n0.456012 0.604656 0.222205 O\n0.978789 0.601675 0.243658 O\n0.624148 0.230899 0.247125 O\n0.276992 0.958946 0.254174 O\n0.780137 0.908789 0.255832 O\n0.383426 0.754290 0.738192 O\n0.047585 0.405886 0.748933 O\n0.547650 0.449991 0.759816 O\n0.702909 0.074376 0.773895 O\n0.185461 0.058972 0.774312 O\n0.889412 0.760179 0.791676 O\n0.581656 0.836422 0.001522 Ta\n0.078091 0.768236 0.968003 Ta\n",
"nsites": 23,
"nelements": 4,
"elements": [
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],
"chemical_system": "Li-Mn-O-Ta",
"density": 5.145774818422266,
"density_atomic": 0.10134283907740622,
"volume": 226.95239455875586,
"volume_molar": 5.9423446341386335,
"formula_full": "Li8 Ta2 Mn2 O11",
"formula_reduced": "Li8Ta2Mn2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -2.44433520126478,
"spacegroup": 1
},
{
"id": "oqmd-694186",
"created_at": "2022-09-04T15:17:59.848006Z",
"updated_at": "2022-09-04T15:17:59.848034Z",
"structure_string": "Li8 Mg4 O11\n1.0\n-5.186740 -8.799441 -0.128434\n-2.625666 4.418179 -0.016758\n1.695960 -0.030685 -4.505503\nLi Mg O\n8 4 11\ndirect\n0.750670 0.495059 0.004386 Li\n0.174050 0.660779 0.495299 Li\n0.831443 0.344169 0.498121 Li\n0.998849 0.997311 0.501927 Li\n0.689699 0.652135 0.506226 Li\n0.506220 0.051988 0.518771 Li\n0.311224 0.316754 0.527080 Li\n0.235453 0.503240 0.977513 Li\n0.084313 0.833706 0.008738 Mg\n0.593045 0.850165 0.969210 Mg\n0.408861 0.127338 0.984937 Mg\n0.917378 0.171288 0.997203 Mg\n0.616684 0.235357 0.232257 O\n0.785217 0.909719 0.235940 O\n0.128099 0.256698 0.238956 O\n0.959616 0.580513 0.250319 O\n0.296943 0.935012 0.263729 O\n0.707179 0.062478 0.706968 O\n0.039486 0.421733 0.743906 O\n0.380652 0.739621 0.745414 O\n0.878595 0.753348 0.774702 O\n0.535603 0.421149 0.784970 O\n0.212131 0.098748 0.785872 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"Mg",
"O"
],
"chemical_system": "Li-Mg-O",
"density": 2.617545570382354,
"density_atomic": 0.11028554394064834,
"volume": 208.54954491930295,
"volume_molar": 5.460498760599935,
"formula_full": "Li8 Mg4 O11",
"formula_reduced": "Li8Mg4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -1.86777211614491,
"spacegroup": 1
},
{
"id": "oqmd-694125",
"created_at": "2022-09-04T15:17:59.877690Z",
"updated_at": "2022-09-04T15:17:59.877716Z",
"structure_string": "Li8 Ag4 O11\n1.0\n-5.333587 -9.200278 -0.164066\n-2.578987 4.549351 0.059614\n1.759715 -0.057481 -4.796838\nAg Li O\n4 8 11\ndirect\n0.574086 0.821668 0.005880 Ag\n0.083810 0.835464 0.007216 Ag\n0.421879 0.177922 0.034940 Ag\n0.907768 0.165883 0.979142 Ag\n0.981783 0.992383 0.481743 Li\n0.838418 0.349714 0.492662 Li\n0.183427 0.664264 0.500877 Li\n0.675601 0.677058 0.506219 Li\n0.328630 0.285347 0.535964 Li\n0.507372 0.025417 0.536496 Li\n0.239666 0.504173 0.974218 Li\n0.748799 0.499682 0.977902 Li\n0.784543 0.932542 0.227624 O\n0.102453 0.228070 0.234408 O\n0.957617 0.582800 0.236708 O\n0.616615 0.236211 0.250804 O\n0.318874 0.926910 0.280535 O\n0.722959 0.106519 0.716380 O\n0.380358 0.698181 0.720578 O\n0.859913 0.767233 0.721868 O\n0.042853 0.426107 0.752239 O\n0.537104 0.415004 0.782155 O\n0.221244 0.091016 0.797756 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Ag",
"Li",
"O"
],
"chemical_system": "Ag-Li-O",
"density": 4.775961313250723,
"density_atomic": 0.0997768547539243,
"volume": 230.5143818846965,
"volume_molar": 6.035608934408854,
"formula_full": "Li8 Ag4 O11",
"formula_reduced": "Li8Ag4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -1.1533877971594,
"spacegroup": 1
},
{
"id": "oqmd-694205",
"created_at": "2022-09-04T15:18:00.242077Z",
"updated_at": "2022-09-04T15:18:00.242104Z",
"structure_string": "Li8 Pb4 O11\n1.0\n-5.621137 -9.575437 -0.126533\n-2.682235 4.713916 0.064010\n1.864825 -0.042259 -4.993427\nLi O Pb\n8 11 4\ndirect\n0.773071 0.511237 0.030521 Li\n0.190889 0.683894 0.496057 Li\n0.701119 0.647092 0.499322 Li\n0.815016 0.292538 0.508230 Li\n0.011324 0.000772 0.513266 Li\n0.303116 0.280621 0.518245 Li\n0.516420 0.074220 0.541269 Li\n0.228282 0.497190 0.944968 Li\n0.773498 0.875225 0.225571 O\n0.280179 0.893560 0.238617 O\n0.964614 0.592910 0.253725 O\n0.120628 0.239606 0.261793 O\n0.624120 0.199641 0.262865 O\n0.521464 0.445406 0.630120 O\n0.028596 0.392947 0.746054 O\n0.878561 0.753808 0.756121 O\n0.203258 0.093347 0.759818 O\n0.380138 0.794753 0.768304 O\n0.718437 0.115041 0.769826 O\n0.917285 0.165814 0.020054 Pb\n0.428979 0.221764 0.065545 Pb\n0.577142 0.815842 0.953177 Pb\n0.083417 0.828623 0.987457 Pb\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"O",
"Pb"
],
"chemical_system": "Li-O-Pb",
"density": 6.75888054922258,
"density_atomic": 0.0882909079657114,
"volume": 260.50247448958464,
"volume_molar": 6.820793781324295,
"formula_full": "Li8 Pb4 O11",
"formula_reduced": "Li8Pb4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -1.62621055585506,
"spacegroup": 1
},
{
"id": "oqmd-694228",
"created_at": "2022-09-04T15:18:00.244849Z",
"updated_at": "2022-09-04T15:18:00.244876Z",
"structure_string": "Li8 Sc4 O11\n1.0\n-5.343702 -9.207723 -0.023658\n-2.620072 4.574087 0.012019\n1.795555 -0.002306 -4.761562\nLi O Sc\n8 11 4\ndirect\n0.754303 0.504021 0.006427 Li\n0.170080 0.652051 0.492917 Li\n0.702715 0.668318 0.497695 Li\n0.998518 0.995413 0.499307 Li\n0.827542 0.335466 0.503934 Li\n0.509385 0.067197 0.513883 Li\n0.305034 0.312622 0.530343 Li\n0.227628 0.482920 0.971169 Li\n0.783280 0.910249 0.230481 O\n0.613964 0.231113 0.239208 O\n0.961972 0.582426 0.245122 O\n0.120650 0.245102 0.248856 O\n0.295816 0.935995 0.255324 O\n0.709198 0.069488 0.735325 O\n0.378402 0.742619 0.754381 O\n0.037801 0.420808 0.757920 O\n0.884735 0.762585 0.760577 O\n0.531415 0.417089 0.771696 O\n0.217011 0.098787 0.785251 O\n0.919800 0.170777 0.002124 Sc\n0.086146 0.840313 0.006649 Sc\n0.594364 0.852598 0.964920 Sc\n0.410327 0.121608 0.983307 Sc\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"O",
"Sc"
],
"chemical_system": "Li-O-Sc",
"density": 2.953720528134241,
"density_atomic": 0.09945849116488667,
"volume": 231.25225137258101,
"volume_molar": 6.054928734054722,
"formula_full": "Li8 Sc4 O11",
"formula_reduced": "Li8Sc4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -2.63498996672462,
"spacegroup": 1
},
{
"id": "oqmd-694197",
"created_at": "2022-09-04T15:17:59.700909Z",
"updated_at": "2022-09-04T15:17:59.700931Z",
"structure_string": "Li8 Ni4 O11\n1.0\n-4.857611 -8.403604 0.028519\n-2.420127 4.196848 -0.004020\n1.655743 0.012003 -4.628069\nLi Ni O\n8 4 11\ndirect\n0.749830 0.499198 0.000697 Li\n0.996324 0.997531 0.492401 Li\n0.829988 0.330467 0.494866 Li\n0.170645 0.660632 0.498977 Li\n0.686309 0.663474 0.512159 Li\n0.316292 0.309865 0.526787 Li\n0.506789 0.043813 0.529458 Li\n0.237645 0.497321 0.982675 Li\n0.083262 0.835988 0.003123 Ni\n0.586895 0.843386 0.985093 Ni\n0.917233 0.170096 0.994331 Ni\n0.410856 0.145247 0.995468 Ni\n0.787697 0.933917 0.217862 O\n0.965293 0.575220 0.220767 O\n0.113033 0.224534 0.227706 O\n0.288209 0.936269 0.231061 O\n0.604545 0.213976 0.234096 O\n0.720895 0.076253 0.750659 O\n0.388505 0.749328 0.754679 O\n0.893530 0.786769 0.774880 O\n0.035471 0.432874 0.775557 O\n0.532011 0.423400 0.785239 O\n0.212318 0.075695 0.788703 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 4.111357101053394,
"density_atomic": 0.12212460722754531,
"volume": 188.33223313583218,
"volume_molar": 4.931144424300512,
"formula_full": "Li8 Ni4 O11",
"formula_reduced": "Li8Ni4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -1.52403444871378,
"spacegroup": 1
}
]
}