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{
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"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=spacegroup&page=43",
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"results": [
{
"id": "oqmd-694285",
"created_at": "2022-09-04T15:18:01.185567Z",
"updated_at": "2022-09-04T15:18:01.185587Z",
"structure_string": "Li8 Mn2 Ru2 O11\n1.0\n-5.021714 -8.614803 0.005476\n-2.552980 4.331782 -0.024381\n1.698163 0.006449 -4.725854\nLi Mn O Ru\n8 2 11 2\ndirect\n0.750706 0.494031 0.001432 Li\n0.984052 0.976568 0.496243 Li\n0.832711 0.332499 0.496588 Li\n0.497838 0.993707 0.498995 Li\n0.669340 0.659438 0.501591 Li\n0.348911 0.356277 0.512890 Li\n0.169660 0.700135 0.514499 Li\n0.255827 0.517436 0.970853 Li\n0.585923 0.834524 0.005068 Mn\n0.077020 0.829882 0.994130 Mn\n0.967528 0.582529 0.231356 O\n0.460933 0.589237 0.234044 O\n0.786027 0.918853 0.234991 O\n0.615742 0.222228 0.238878 O\n0.280798 0.936644 0.240831 O\n0.041809 0.406786 0.754160 O\n0.386693 0.766536 0.759287 O\n0.881267 0.751056 0.760134 O\n0.703793 0.056712 0.772760 O\n0.541195 0.430087 0.773682 O\n0.204910 0.085023 0.775072 O\n0.416530 0.171246 0.002887 Ru\n0.922785 0.163017 0.994695 Ru\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"Ru"
],
"chemical_system": "Li-Mn-O-Ru",
"density": 4.359069404764513,
"density_atomic": 0.11108182796829356,
"volume": 207.05456887660296,
"volume_molar": 5.421355472939209,
"formula_full": "Li8 Mn2 Ru2 O11",
"formula_reduced": "Li8Mn2Ru2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -1.8264049434387,
"spacegroup": 1
},
{
"id": "oqmd-694460",
"created_at": "2022-09-04T15:18:01.185279Z",
"updated_at": "2022-09-04T15:18:01.185298Z",
"structure_string": "Cr4 O11\n1.0\n-5.269602 -8.340053 -0.045760\n-2.481996 4.071922 0.061207\n1.774187 -0.012961 -4.391553\nCr O\n4 11\ndirect\n0.636917 0.900806 0.026346 Cr\n0.959318 0.201543 0.066709 Cr\n0.383766 0.071420 0.928230 Cr\n0.083153 0.800144 0.950229 Cr\n0.285784 0.940903 0.195225 O\n0.974014 0.577030 0.217053 O\n0.574240 0.124004 0.223348 O\n0.815632 0.987672 0.257440 O\n0.121077 0.230682 0.270203 O\n0.362184 0.766564 0.669300 O\n0.684998 0.033212 0.754480 O\n0.026086 0.404853 0.762527 O\n0.197147 0.067626 0.767395 O\n0.902341 0.834794 0.780900 O\n0.516191 0.484810 0.910061 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 3.454839202350222,
"density_atomic": 0.08127629248452296,
"volume": 184.555662438175,
"volume_molar": 7.409467848384899,
"formula_full": "Cr4 O11",
"formula_reduced": "Cr4O11",
"formula_anonymous": "A4B11",
"formation_energy": -1.41731300411356,
"spacegroup": 1
},
{
"id": "oqmd-694236",
"created_at": "2022-09-04T15:18:01.221160Z",
"updated_at": "2022-09-04T15:18:01.221181Z",
"structure_string": "Sr4 Li8 O11\n1.0\n-5.778491 -9.930986 0.454524\n-3.471387 5.342576 0.303838\n2.438207 -0.158460 -4.406904\nLi O Sr\n8 11 4\ndirect\n0.732141 0.539822 0.024469 Li\n0.254842 0.588255 0.053660 Li\n0.034408 0.014220 0.330711 Li\n0.517843 0.118125 0.415521 Li\n0.325883 0.281359 0.461337 Li\n0.238020 0.583369 0.524356 Li\n0.801423 0.412953 0.583967 Li\n0.697115 0.626839 0.603626 Li\n0.226838 0.318080 0.158306 O\n0.668782 0.369166 0.241229 O\n0.157183 0.710898 0.285818 O\n0.913589 0.316232 0.420940 O\n0.670290 0.850020 0.458231 O\n0.190246 0.985474 0.492248 O\n0.052542 0.334032 0.574438 O\n0.679668 0.105267 0.636233 O\n0.526653 0.430933 0.669543 O\n0.883046 0.765918 0.925714 O\n0.370710 0.846810 0.966075 O\n0.441407 0.310625 0.033856 Sr\n0.103392 0.809191 0.830948 Sr\n0.941645 0.200809 0.920193 Sr\n0.603548 0.917183 0.975202 Sr\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"O",
"Sr"
],
"chemical_system": "Li-O-Sr",
"density": 3.5185487508874536,
"density_atomic": 0.08373717051025065,
"volume": 274.6689416402536,
"volume_molar": 7.191717517207967,
"formula_full": "Sr4 Li8 O11",
"formula_reduced": "Sr4Li8O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -2.02519480324636,
"spacegroup": 1
},
{
"id": "oqmd-694200",
"created_at": "2022-09-04T15:18:01.230037Z",
"updated_at": "2022-09-04T15:18:01.230060Z",
"structure_string": "Li8 Np4 O11\n1.0\n-6.191388 -10.011367 -0.218909\n-2.856305 4.862574 0.101843\n2.009078 -0.060537 -5.014247\nLi Np O\n8 4 11\ndirect\n0.448356 0.914733 0.456609 Li\n0.190856 0.845310 0.459449 Li\n0.924501 0.871000 0.473870 Li\n0.680076 0.645172 0.497423 Li\n0.386088 0.394974 0.515724 Li\n0.764616 0.297697 0.561420 Li\n0.229748 0.447863 0.807880 Li\n0.739807 0.507279 0.974101 Li\n0.420197 0.172935 0.013557 Np\n0.594196 0.845137 0.016070 Np\n0.930175 0.183857 0.068603 Np\n0.069354 0.771570 0.908122 Np\n0.298031 0.970231 0.253665 O\n0.779759 0.884358 0.258774 O\n0.006587 0.671538 0.279075 O\n0.612275 0.228943 0.279674 O\n0.488093 0.611274 0.283665 O\n0.389420 0.748605 0.745301 O\n0.860858 0.720098 0.750465 O\n0.046099 0.357154 0.753266 O\n0.543669 0.415816 0.773122 O\n0.232742 0.114724 0.776951 O\n0.742935 0.136615 0.842120 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"Np",
"O"
],
"chemical_system": "Li-Np-O",
"density": 6.653932814520773,
"density_atomic": 0.07813602709547436,
"volume": 294.35845223991635,
"volume_molar": 7.707252318628321,
"formula_full": "Li8 Np4 O11",
"formula_reduced": "Li8Np4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -2.65054072424506,
"spacegroup": 1
},
{
"id": "oqmd-694476",
"created_at": "2022-09-04T15:18:01.267484Z",
"updated_at": "2022-09-04T15:18:01.267500Z",
"structure_string": "Ir4 O11\n1.0\n-5.281698 -9.277577 0.010351\n-2.445314 4.524549 0.000579\n1.729526 0.040850 -4.390660\nIr O\n4 11\ndirect\n0.582022 0.812653 0.003335 Ir\n0.089463 0.866116 0.006454 Ir\n0.417429 0.149830 0.987420 Ir\n0.912555 0.167915 0.996764 Ir\n0.975227 0.584455 0.227559 O\n0.590566 0.165435 0.236586 O\n0.096999 0.214812 0.242576 O\n0.786820 0.958677 0.243102 O\n0.296506 0.998145 0.245438 O\n0.703945 0.985245 0.736602 O\n0.520762 0.404510 0.749829 O\n0.905617 0.812877 0.763708 O\n0.393367 0.769442 0.771981 O\n0.027835 0.446918 0.776810 O\n0.221081 0.084771 0.782419 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Ir",
"O"
],
"chemical_system": "Ir-O",
"density": 7.674415924660663,
"density_atomic": 0.07337014661366759,
"volume": 204.4428243953619,
"volume_molar": 8.207889772538875,
"formula_full": "Ir4 O11",
"formula_reduced": "Ir4O11",
"formula_anonymous": "A4B11",
"formation_energy": -0.676241455644419,
"spacegroup": 1
},
{
"id": "oqmd-694292",
"created_at": "2022-09-04T15:18:01.526462Z",
"updated_at": "2022-09-04T15:18:01.526493Z",
"structure_string": "Li8 Pa2 Mn2 O11\n1.0\n-5.337474 -9.279400 0.176497\n-2.820657 4.726689 -0.097333\n1.847784 0.069036 -4.928833\nLi Mn O Pa\n8 2 11 2\ndirect\n0.759243 0.509271 0.029688 Li\n0.349547 0.454387 0.464860 Li\n0.680371 0.640785 0.495528 Li\n0.982147 0.976615 0.517719 Li\n0.836968 0.331516 0.522506 Li\n0.144795 0.577132 0.531643 Li\n0.546096 0.118455 0.535097 Li\n0.238803 0.429355 0.933975 Li\n0.915474 0.156388 0.012473 Mn\n0.416563 0.180305 0.939099 Mn\n0.437393 0.553625 0.190936 O\n0.611437 0.244780 0.234963 O\n0.789061 0.908223 0.259564 O\n0.963870 0.574459 0.268771 O\n0.128177 0.233747 0.269512 O\n0.527648 0.432029 0.711036 O\n0.369415 0.771037 0.725580 O\n0.709143 0.098524 0.759998 O\n0.191379 0.038060 0.764301 O\n0.880703 0.743470 0.778285 O\n0.050179 0.424848 0.791835 O\n0.087918 0.826528 0.038053 Pa\n0.581682 0.841584 0.996277 Pa\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"Pa"
],
"chemical_system": "Li-Mn-O-Pa",
"density": 5.2649145334054115,
"density_atomic": 0.09076132007184631,
"volume": 253.41191580062176,
"volume_molar": 6.635140118315706,
"formula_full": "Li8 Pa2 Mn2 O11",
"formula_reduced": "Li8Pa2Mn2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -2.37937555561261,
"spacegroup": 1
},
{
"id": "oqmd-694322",
"created_at": "2022-09-04T15:18:01.219376Z",
"updated_at": "2022-09-04T15:18:01.219404Z",
"structure_string": "Li8 Hf2 Mn2 O11\n1.0\n-5.270755 -9.048586 -0.078324\n-2.553691 4.477194 0.027266\n1.750253 -0.019449 -4.811311\nHf Li Mn O\n2 8 2 11\ndirect\n0.912466 0.164580 0.984615 Hf\n0.408134 0.109384 0.987967 Hf\n0.155653 0.642119 0.485684 Li\n0.699546 0.690804 0.492447 Li\n0.827214 0.351167 0.497672 Li\n0.007008 0.979886 0.499787 Li\n0.526333 0.073882 0.525574 Li\n0.303077 0.294601 0.527098 Li\n0.225342 0.473589 0.992059 Li\n0.751701 0.505622 0.993998 Li\n0.081360 0.835831 0.005703 Mn\n0.590614 0.838604 0.984361 Mn\n0.773601 0.916711 0.219272 O\n0.616564 0.223581 0.230903 O\n0.967175 0.595019 0.231846 O\n0.113708 0.226407 0.240250 O\n0.309341 0.945625 0.274693 O\n0.709018 0.076462 0.738311 O\n0.877285 0.766145 0.740475 O\n0.387260 0.735906 0.765133 O\n0.044817 0.446628 0.769723 O\n0.531642 0.427327 0.788999 O\n0.212909 0.085279 0.794792 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Hf",
"Li",
"Mn",
"O"
],
"chemical_system": "Hf-Li-Mn-O",
"density": 5.156671061195917,
"density_atomic": 0.10227227926092768,
"volume": 224.88987403243462,
"volume_molar": 5.888341204008652,
"formula_full": "Li8 Hf2 Mn2 O11",
"formula_reduced": "Li8Hf2Mn2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -2.51007703778652,
"spacegroup": 1
},
{
"id": "oqmd-694338",
"created_at": "2022-09-04T15:18:01.419400Z",
"updated_at": "2022-09-04T15:18:01.419441Z",
"structure_string": "Li8 Mn2 W2 O11\n1.0\n-5.189625 -8.777295 0.049260\n-2.658826 4.425678 -0.018256\n1.788535 0.010305 -4.801190\nLi Mn O W\n8 2 11 2\ndirect\n0.752655 0.491866 0.001355 Li\n0.358653 0.393321 0.486398 Li\n0.982612 0.965000 0.498302 Li\n0.499549 0.010672 0.502257 Li\n0.675234 0.650492 0.507671 Li\n0.824704 0.316608 0.510202 Li\n0.174618 0.700553 0.513694 Li\n0.251698 0.496731 0.949115 Li\n0.927738 0.146568 0.016439 Mn\n0.417449 0.177492 0.995548 Mn\n0.460622 0.613236 0.225304 O\n0.975367 0.592892 0.235605 O\n0.623014 0.221208 0.241724 O\n0.773414 0.895629 0.247022 O\n0.275718 0.957423 0.259411 O\n0.385416 0.757960 0.750537 O\n0.878287 0.726602 0.751128 O\n0.036834 0.425345 0.751845 O\n0.545255 0.452209 0.760087 O\n0.700097 0.062391 0.777759 O\n0.188466 0.070688 0.782309 O\n0.587432 0.839188 0.003757 W\n0.080267 0.812533 0.992966 W\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"W"
],
"chemical_system": "Li-Mn-O-W",
"density": 5.298748423811139,
"density_atomic": 0.10350428752632687,
"volume": 222.21301696463374,
"volume_molar": 5.818252464631705,
"formula_full": "Li8 Mn2 W2 O11",
"formula_reduced": "Li8Mn2W2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -2.17480171083,
"spacegroup": 1
},
{
"id": "oqmd-694495",
"created_at": "2022-09-04T15:18:01.427875Z",
"updated_at": "2022-09-04T15:18:01.427903Z",
"structure_string": "Ti4 O11\n1.0\n-6.469194 -10.134609 -1.093767\n-2.252557 4.446151 0.350639\n1.764875 -0.080241 -3.281511\nO Ti\n11 4\ndirect\n0.977204 0.446926 0.033151 O\n0.538339 0.512983 0.128939 O\n0.802028 0.054625 0.287234 O\n0.342692 0.997484 0.386255 O\n0.628691 0.487267 0.399786 O\n0.189235 0.377152 0.429075 O\n0.081711 0.248622 0.503236 O\n0.896281 0.761514 0.680103 O\n0.678950 0.124792 0.760169 O\n0.177628 0.950727 0.812628 O\n0.438439 0.790423 0.887531 O\n0.616525 0.036864 0.190291 Ti\n0.999478 0.598362 0.605617 Ti\n0.809437 0.974840 0.762801 Ti\n0.358930 0.043611 0.888184 Ti\n",
"nsites": 15,
"nelements": 2,
"elements": [
"O",
"Ti"
],
"chemical_system": "O-Ti",
"density": 3.5635265351934873,
"density_atomic": 0.08760127623342102,
"volume": 171.2303820783527,
"volume_molar": 6.874489755096143,
"formula_full": "Ti4 O11",
"formula_reduced": "Ti4O11",
"formula_anonymous": "A4B11",
"formation_energy": -2.44113357798742,
"spacegroup": 1
},
{
"id": "oqmd-694489",
"created_at": "2022-09-04T15:18:02.814056Z",
"updated_at": "2022-09-04T15:18:02.814083Z",
"structure_string": "Ni4 O11\n1.0\n-4.769749 -8.070300 0.094625\n-2.358784 4.020027 0.020556\n1.672109 0.018430 -4.005149\nNi O\n4 11\ndirect\n0.417300 0.168555 0.002088 Ni\n0.907788 0.168327 0.990884 Ni\n0.090940 0.826028 0.993430 Ni\n0.580459 0.827958 0.999549 Ni\n0.625367 0.248324 0.238840 O\n0.461303 0.589026 0.239474 O\n0.971053 0.600439 0.241896 O\n0.795383 0.933044 0.242189 O\n0.300601 0.934538 0.247408 O\n0.689958 0.063871 0.748694 O\n0.534000 0.404694 0.757332 O\n0.371341 0.745101 0.757496 O\n0.038792 0.390058 0.762755 O\n0.206636 0.086772 0.766977 O\n0.885411 0.765922 0.779316 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Ni",
"O"
],
"chemical_system": "Ni-O",
"density": 4.483823362620301,
"density_atomic": 0.0986041312057956,
"volume": 152.12344367898405,
"volume_molar": 6.107391938205162,
"formula_full": "Ni4 O11",
"formula_reduced": "Ni4O11",
"formula_anonymous": "A4B11",
"formation_energy": 0.0632238673055321,
"spacegroup": 1
},
{
"id": "oqmd-694258",
"created_at": "2022-09-04T15:18:01.334016Z",
"updated_at": "2022-09-04T15:18:01.334032Z",
"structure_string": "Li8 V4 O11\n1.0\n-5.011197 -8.732416 -0.053912\n-2.514117 4.371157 -0.033964\n1.646817 0.002115 -4.722117\nLi O V\n8 11 4\ndirect\n0.748289 0.502133 0.005869 Li\n0.826730 0.333344 0.492891 Li\n0.669796 0.651450 0.498860 Li\n0.499083 0.996336 0.499420 Li\n0.982551 0.969575 0.503927 Li\n0.179996 0.717350 0.512000 Li\n0.353281 0.360787 0.517685 Li\n0.259359 0.511199 0.963975 Li\n0.461689 0.583828 0.228080 O\n0.292444 0.945121 0.229917 O\n0.611603 0.223485 0.236637 O\n0.791662 0.927353 0.240920 O\n0.970614 0.575714 0.241976 O\n0.385221 0.777365 0.760155 O\n0.697085 0.049531 0.765226 O\n0.211018 0.088500 0.766262 O\n0.879955 0.758123 0.768657 O\n0.043760 0.401381 0.778093 O\n0.535028 0.415001 0.778721 O\n0.586238 0.839758 0.008802 V\n0.076297 0.815083 0.979823 V\n0.908318 0.164776 0.988267 V\n0.416404 0.165648 0.999783 V\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"O",
"V"
],
"chemical_system": "Li-O-V",
"density": 3.475324128917665,
"density_atomic": 0.11058544199960307,
"volume": 207.98397677049167,
"volume_molar": 5.4456903649411785,
"formula_full": "Li8 V4 O11",
"formula_reduced": "Li8V4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -2.34885086590455,
"spacegroup": 1
},
{
"id": "oqmd-694313",
"created_at": "2022-09-04T15:18:01.492211Z",
"updated_at": "2022-09-04T15:18:01.492246Z",
"structure_string": "Li8 Ta2 Mn2 O11\n1.0\n-5.166745 -8.981550 -0.033085\n-2.628580 4.515656 -0.000475\n1.750535 -0.016873 -4.821413\nLi Mn O Ta\n8 2 11 2\ndirect\n0.738475 0.492759 0.007986 Li\n0.996316 0.995388 0.482966 Li\n0.345615 0.406039 0.490720 Li\n0.664724 0.648764 0.495506 Li\n0.810885 0.297952 0.508048 Li\n0.522747 0.024791 0.524764 Li\n0.165575 0.633280 0.528269 Li\n0.247696 0.457623 0.967565 Li\n0.919414 0.182016 0.020198 Mn\n0.420032 0.176283 0.986012 Mn\n0.458444 0.598035 0.231728 O\n0.132720 0.218400 0.240064 O\n0.615307 0.223317 0.245124 O\n0.777055 0.909005 0.245934 O\n0.991795 0.625653 0.254490 O\n0.873117 0.736371 0.743260 O\n0.538673 0.443069 0.748788 O\n0.384924 0.762071 0.754448 O\n0.203525 0.051408 0.772455 O\n0.703544 0.082479 0.775892 O\n0.057331 0.450536 0.784374 O\n0.582703 0.834875 0.002048 Ta\n0.058255 0.818270 0.965567 Ta\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"Ta"
],
"chemical_system": "Li-Mn-O-Ta",
"density": 5.154128994131212,
"density_atomic": 0.10150736937932794,
"volume": 226.58453411446567,
"volume_molar": 5.932712862940583,
"formula_full": "Li8 Ta2 Mn2 O11",
"formula_reduced": "Li8Ta2Mn2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -2.44881710691696,
"spacegroup": 1
}
]
}