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{
"id": "oqmd-694362",
"created_at": "2022-09-04T15:18:00.864327Z",
"updated_at": "2022-09-04T15:18:00.864351Z",
"structure_string": "Li8 Mn2 As2 O11\n1.0\n-5.081632 -8.673832 -0.053196\n-2.466074 4.293618 0.006052\n1.679125 -0.002922 -4.727727\nAs Li Mn O\n2 8 2 11\ndirect\n0.092434 0.863426 0.032212 As\n0.580675 0.832046 0.991020 As\n0.496118 0.988998 0.493532 Li\n0.669224 0.662144 0.496130 Li\n0.830699 0.344929 0.502446 Li\n0.990540 0.961244 0.503062 Li\n0.347287 0.340144 0.505297 Li\n0.176639 0.696501 0.521929 Li\n0.255981 0.514353 0.977967 Li\n0.746519 0.495643 0.987645 Li\n0.912739 0.163075 0.995127 Mn\n0.416664 0.168250 0.995658 Mn\n0.467828 0.586795 0.217101 O\n0.608210 0.207064 0.218380 O\n0.779057 0.922159 0.222701 O\n0.288645 0.918116 0.235813 O\n0.969065 0.563642 0.245296 O\n0.880657 0.769706 0.758779 O\n0.388484 0.759794 0.762769 O\n0.690381 0.054003 0.764146 O\n0.212166 0.078546 0.772062 O\n0.537707 0.438235 0.774755 O\n0.042677 0.459118 0.795543 O\n",
"nsites": 23,
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"elements": [
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"density": 3.9874141683795923,
"density_atomic": 0.1124283283964255,
"volume": 204.57477513052888,
"volume_molar": 5.356426486006053,
"formula_full": "Li8 Mn2 As2 O11",
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"formula_anonymous": "A2B2C8D11",
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"spacegroup": 1
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{
"id": "oqmd-694466",
"created_at": "2022-09-04T15:18:01.031827Z",
"updated_at": "2022-09-04T15:18:01.031844Z",
"structure_string": "Co4 O11\n1.0\n-4.733779 -8.249306 0.084257\n-2.391476 4.138865 0.042116\n1.696385 -0.005230 -4.190497\nCo O\n4 11\ndirect\n0.442315 0.189455 0.027846 Co\n0.069109 0.819033 0.031122 Co\n0.580600 0.824948 0.983910 Co\n0.913795 0.158088 0.992765 Co\n0.286986 0.946740 0.203175 O\n0.463122 0.568591 0.215475 O\n0.790842 0.952880 0.229855 O\n0.113904 0.220538 0.234928 O\n0.625189 0.236483 0.249771 O\n0.969517 0.580930 0.253647 O\n0.704936 0.039558 0.750122 O\n0.520737 0.406404 0.759891 O\n0.893311 0.779978 0.760420 O\n0.387654 0.788278 0.761022 O\n0.028432 0.425279 0.773936 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Co",
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],
"chemical_system": "Co-O",
"density": 4.179236643797052,
"density_atomic": 0.09169183028509384,
"volume": 163.5914557857672,
"volume_molar": 6.567805159168043,
"formula_full": "Co4 O11",
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"formula_anonymous": "A4B11",
"formation_energy": -0.364524581493941,
"spacegroup": 1
},
{
"id": "oqmd-694331",
"created_at": "2022-09-04T15:18:01.058973Z",
"updated_at": "2022-09-04T15:18:01.059001Z",
"structure_string": "Li8 U2 Mn2 O11\n1.0\n-5.337496 -9.486066 -0.069131\n-2.656136 4.735871 -0.055638\n1.723289 0.013370 -4.882073\nLi Mn O U\n8 2 11 2\ndirect\n0.750557 0.505044 0.013145 Li\n0.180838 0.629899 0.490249 Li\n0.984140 0.015136 0.494487 Li\n0.828957 0.324826 0.507100 Li\n0.699447 0.644919 0.507169 Li\n0.499350 0.067694 0.508402 Li\n0.316696 0.319369 0.532745 Li\n0.228331 0.484403 0.959977 Li\n0.916474 0.165237 0.002778 Mn\n0.415709 0.137305 0.979009 Mn\n0.963955 0.591632 0.243639 O\n0.286458 0.915446 0.245292 O\n0.128519 0.242015 0.247872 O\n0.616608 0.245736 0.248010 O\n0.792251 0.912546 0.253507 O\n0.531496 0.411780 0.743401 O\n0.370813 0.734670 0.745567 O\n0.710839 0.085632 0.746276 O\n0.043948 0.436595 0.754528 O\n0.887113 0.760466 0.759637 O\n0.212900 0.101967 0.779318 O\n0.085339 0.837681 0.004665 U\n0.588144 0.838443 0.992454 U\n",
"nsites": 23,
"nelements": 4,
"elements": [
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"Mn",
"O",
"U"
],
"chemical_system": "Li-Mn-O-U",
"density": 5.475886018132244,
"density_atomic": 0.09278315130902977,
"volume": 247.88983425875094,
"volume_molar": 6.490554238605515,
"formula_full": "Li8 U2 Mn2 O11",
"formula_reduced": "Li8U2Mn2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -2.4513724332234,
"spacegroup": 1
},
{
"id": "oqmd-694290",
"created_at": "2022-09-04T15:18:01.039494Z",
"updated_at": "2022-09-04T15:18:01.039527Z",
"structure_string": "Li8 Mn2 Pb2 O11\n1.0\n-5.222927 -9.300487 -0.148420\n-2.596590 4.641308 -0.013531\n1.686457 -0.029499 -4.862655\nLi Mn O Pb\n8 2 11 2\ndirect\n0.008042 0.973622 0.496764 Li\n0.827962 0.349445 0.502229 Li\n0.668133 0.675825 0.506703 Li\n0.151151 0.645086 0.515037 Li\n0.330251 0.375387 0.516647 Li\n0.526492 0.988075 0.516748 Li\n0.246272 0.468449 0.977813 Li\n0.750026 0.500239 0.994746 Li\n0.079239 0.839615 0.986988 Mn\n0.579781 0.832259 0.997853 Mn\n0.766085 0.908644 0.233135 O\n0.465188 0.618756 0.233164 O\n0.982511 0.607208 0.236202 O\n0.621997 0.204252 0.236819 O\n0.130738 0.221120 0.242202 O\n0.872651 0.748506 0.734746 O\n0.199829 0.062404 0.752311 O\n0.539141 0.450116 0.758954 O\n0.394639 0.756879 0.759364 O\n0.698930 0.067461 0.774139 O\n0.057142 0.469528 0.779505 O\n0.416247 0.164756 0.011451 Pb\n0.917082 0.161987 0.998502 Pb\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"Pb"
],
"chemical_system": "Li-Mn-O-Pb",
"density": 5.302823240638794,
"density_atomic": 0.09718079426354354,
"volume": 236.6722784506839,
"volume_molar": 6.196842499217101,
"formula_full": "Li8 Mn2 Pb2 O11",
"formula_reduced": "Li8Mn2Pb2O11",
"formula_anonymous": "A2B2C8D11",
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"spacegroup": 1
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{
"id": "oqmd-694237",
"created_at": "2022-09-04T15:18:00.739279Z",
"updated_at": "2022-09-04T15:18:00.739318Z",
"structure_string": "Li8 Ta4 O11\n1.0\n-5.264538 -8.825146 -0.085738\n-2.547850 4.362651 -0.042331\n1.679231 0.015884 -4.955834\nLi O Ta\n8 11 4\ndirect\n0.676850 0.656408 0.493181 Li\n0.997633 0.997243 0.497878 Li\n0.829450 0.332310 0.500125 Li\n0.173278 0.661749 0.503205 Li\n0.317125 0.327904 0.515661 Li\n0.504741 0.034314 0.518884 Li\n0.242027 0.493655 0.982355 Li\n0.749542 0.495301 0.997401 Li\n0.967678 0.585743 0.229041 O\n0.793873 0.927805 0.230750 O\n0.297432 0.960064 0.238987 O\n0.128952 0.261914 0.261166 O\n0.626306 0.233616 0.266860 O\n0.378884 0.753406 0.729313 O\n0.873211 0.737319 0.732956 O\n0.707208 0.053186 0.764750 O\n0.537097 0.413387 0.765353 O\n0.205307 0.065766 0.768364 O\n0.033102 0.410261 0.769813 O\n0.075335 0.850294 0.001075 Ta\n0.425717 0.176065 0.011144 Ta\n0.570310 0.840446 0.993552 Ta\n0.920821 0.143099 0.998398 Ta\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"O",
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],
"chemical_system": "Li-O-Ta",
"density": 7.003363762111513,
"density_atomic": 0.10154061088385068,
"volume": 226.51035679024056,
"volume_molar": 5.930770661689785,
"formula_full": "Li8 Ta4 O11",
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"formula_anonymous": "A4B8C11",
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"spacegroup": 1
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{
"id": "oqmd-694361",
"created_at": "2022-09-04T15:18:00.900321Z",
"updated_at": "2022-09-04T15:18:00.900341Z",
"structure_string": "Li8 Mn2 As2 O11\n1.0\n-4.909968 -8.593885 0.067573\n-2.609539 4.381631 -0.029150\n1.723010 0.006500 -4.753536\nAs Li Mn O\n2 8 2 11\ndirect\n0.581163 0.828459 0.001119 As\n0.084283 0.808489 0.023691 As\n0.752124 0.507074 0.004437 Li\n0.328693 0.373175 0.494918 Li\n0.670186 0.664171 0.501600 Li\n0.838248 0.351056 0.503528 Li\n0.009845 0.000291 0.512066 Li\n0.518549 0.998484 0.512941 Li\n0.149352 0.634337 0.520659 Li\n0.235281 0.438810 0.961460 Li\n0.917009 0.163479 0.013476 Mn\n0.410517 0.163303 0.969654 Mn\n0.458235 0.578765 0.207097 O\n0.596846 0.190556 0.225875 O\n0.771336 0.921291 0.242797 O\n0.962967 0.601220 0.243327 O\n0.113889 0.256834 0.245808 O\n0.226996 0.081158 0.711686 O\n0.551636 0.475013 0.764893 O\n0.392547 0.777451 0.766556 O\n0.036400 0.423015 0.775235 O\n0.907500 0.767737 0.783266 O\n0.705841 0.068073 0.792907 O\n",
"nsites": 23,
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"elements": [
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],
"chemical_system": "As-Li-Mn-O",
"density": 3.9069396471563294,
"density_atomic": 0.11015928497189684,
"volume": 208.7885737990004,
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"formula_full": "Li8 Mn2 As2 O11",
"formula_reduced": "Li8Mn2As2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -1.99132082169957,
"spacegroup": 1
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{
"id": "oqmd-694268",
"created_at": "2022-09-04T15:18:01.388707Z",
"updated_at": "2022-09-04T15:18:01.388732Z",
"structure_string": "Li8 Zr4 O11\n1.0\n-5.445133 -9.238306 -0.016166\n-2.728418 4.622595 -0.009390\n1.833705 -0.000464 -4.892639\nLi O Zr\n8 11 4\ndirect\n0.986820 0.977447 0.490955 Li\n0.828755 0.344985 0.497979 Li\n0.677177 0.655191 0.501478 Li\n0.181432 0.694317 0.502697 Li\n0.498682 0.994374 0.504509 Li\n0.342451 0.367058 0.504993 Li\n0.249353 0.493961 0.961839 Li\n0.748941 0.501041 0.990408 Li\n0.461011 0.583187 0.239822 O\n0.789248 0.922410 0.240306 O\n0.970861 0.573636 0.245808 O\n0.615625 0.232159 0.246877 O\n0.289450 0.946681 0.249851 O\n0.879595 0.752931 0.751975 O\n0.703795 0.058905 0.759815 O\n0.381139 0.768631 0.761178 O\n0.033996 0.405603 0.763343 O\n0.534765 0.417287 0.767393 O\n0.208385 0.075462 0.770372 O\n0.586089 0.834266 0.005388 Zr\n0.417069 0.173469 0.009197 Zr\n0.915652 0.166343 0.995184 Zr\n0.083403 0.828039 0.996038 Zr\n",
"nsites": 23,
"nelements": 3,
"elements": [
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"O",
"Zr"
],
"chemical_system": "Li-O-Zr",
"density": 4.013339551243436,
"density_atomic": 0.09320395434190142,
"volume": 246.77064575638892,
"volume_molar": 6.4612502790481345,
"formula_full": "Li8 Zr4 O11",
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"formula_anonymous": "A4B8C11",
"formation_energy": -2.70401551672462,
"spacegroup": 1
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{
"id": "oqmd-694251",
"created_at": "2022-09-04T15:18:01.419131Z",
"updated_at": "2022-09-04T15:18:01.419158Z",
"structure_string": "Li8 Tl4 O11\n1.0\n-5.512928 -9.524861 -0.038558\n-2.732354 4.748466 -0.000372\n1.843874 -0.005101 -4.913092\nLi O Tl\n8 11 4\ndirect\n0.753623 0.505073 0.003518 Li\n0.169130 0.646574 0.494605 Li\n0.995922 0.991167 0.498407 Li\n0.697621 0.669256 0.505533 Li\n0.832049 0.331984 0.505780 Li\n0.517872 0.064452 0.516302 Li\n0.310035 0.310257 0.522579 Li\n0.228327 0.484937 0.957059 Li\n0.781966 0.899396 0.249951 O\n0.621993 0.256235 0.256263 O\n0.955171 0.584133 0.262550 O\n0.130137 0.257148 0.266410 O\n0.300508 0.926455 0.269362 O\n0.703537 0.077320 0.717179 O\n0.537031 0.413042 0.734769 O\n0.042607 0.416978 0.735495 O\n0.875998 0.748901 0.740614 O\n0.371276 0.721519 0.747966 O\n0.215743 0.111692 0.772758 O\n0.915639 0.167605 0.000102 Tl\n0.084407 0.832658 0.006533 Tl\n0.586612 0.838960 0.984498 Tl\n0.415074 0.155674 0.991840 Tl\n",
"nsites": 23,
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"elements": [
"Li",
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],
"chemical_system": "Li-O-Tl",
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"density_atomic": 0.08955586275064234,
"volume": 256.82294038125417,
"volume_molar": 6.724451727708699,
"formula_full": "Li8 Tl4 O11",
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"formula_anonymous": "A4B8C11",
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"spacegroup": 1
},
{
"id": "oqmd-694173",
"created_at": "2022-09-04T15:18:00.882421Z",
"updated_at": "2022-09-04T15:18:00.882446Z",
"structure_string": "Li8 Ho4 O11\n1.0\n-5.900732 -9.637262 -0.015941\n-2.814279 4.738526 0.089899\n2.019236 -0.021820 -4.819405\nHo Li O\n4 8 11\ndirect\n0.913932 0.162963 0.061707 Ho\n0.078495 0.763259 0.934670 Ho\n0.418034 0.177339 0.991502 Ho\n0.582681 0.838830 0.998470 Ho\n0.473016 0.984078 0.462384 Li\n0.217087 0.772202 0.467232 Li\n0.368287 0.394037 0.476553 Li\n0.691924 0.662495 0.518124 Li\n0.956236 0.935976 0.532265 Li\n0.776776 0.287138 0.542416 Li\n0.251696 0.472150 0.886382 Li\n0.736342 0.501864 0.987163 Li\n0.438296 0.591248 0.208963 O\n0.293676 0.977291 0.238136 O\n0.615070 0.247437 0.269770 O\n0.783598 0.909474 0.278721 O\n0.012214 0.647569 0.315373 O\n0.371700 0.749147 0.704758 O\n0.201710 0.057842 0.727425 O\n0.540747 0.417364 0.738212 O\n0.875608 0.741186 0.795273 O\n0.049473 0.348025 0.807664 O\n0.729555 0.113388 0.813952 O\n",
"nsites": 23,
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"elements": [
"Ho",
"Li",
"O"
],
"chemical_system": "Ho-Li-O",
"density": 5.60889532593014,
"density_atomic": 0.08716860540926903,
"volume": 263.85646405620145,
"volume_molar": 6.908612030357938,
"formula_full": "Li8 Ho4 O11",
"formula_reduced": "Li8Ho4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -2.55915760860868,
"spacegroup": 1
},
{
"id": "oqmd-694265",
"created_at": "2022-09-04T15:18:00.949951Z",
"updated_at": "2022-09-04T15:18:00.949983Z",
"structure_string": "Li8 Zn4 O11\n1.0\n-5.110137 -8.779909 -0.040876\n-2.514141 4.366424 0.040397\n1.739069 -0.024548 -4.713185\nLi O Zn\n8 11 4\ndirect\n0.693587 0.681118 0.493572 Li\n0.998248 0.001923 0.493672 Li\n0.166455 0.662869 0.498585 Li\n0.833486 0.334338 0.500406 Li\n0.502956 0.036927 0.524353 Li\n0.316670 0.303013 0.527290 Li\n0.233458 0.492200 0.982666 Li\n0.752113 0.502839 0.991846 Li\n0.784413 0.928864 0.225363 O\n0.963594 0.582661 0.235838 O\n0.607706 0.223145 0.248200 O\n0.301714 0.936994 0.252564 O\n0.122562 0.237159 0.253430 O\n0.703915 0.065769 0.720028 O\n0.384030 0.735110 0.740032 O\n0.884038 0.775695 0.748235 O\n0.037372 0.426523 0.758430 O\n0.217983 0.084219 0.789269 O\n0.530205 0.414567 0.799015 O\n0.412321 0.138405 0.000700 Zn\n0.082991 0.836009 0.004536 Zn\n0.589426 0.849511 0.978396 Zn\n0.915674 0.167831 0.993561 Zn\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"O",
"Zn"
],
"chemical_system": "Li-O-Zn",
"density": 3.9202808900726573,
"density_atomic": 0.11010584389061727,
"volume": 208.88991162766027,
"volume_molar": 5.4694106572423085,
"formula_full": "Li8 Zn4 O11",
"formula_reduced": "Li8Zn4O11",
"formula_anonymous": "A4B8C11",
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"spacegroup": 1
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{
"id": "oqmd-694340",
"created_at": "2022-09-04T15:18:01.093293Z",
"updated_at": "2022-09-04T15:18:01.093319Z",
"structure_string": "Li8 Mn2 V2 O11\n1.0\n-5.015326 -8.674153 -0.001445\n-2.515184 4.341441 0.019165\n1.722509 -0.012515 -4.720046\nLi Mn O V\n8 2 11 2\ndirect\n0.754066 0.508931 0.004435 Li\n0.669756 0.661073 0.495977 Li\n0.335382 0.390609 0.499553 Li\n0.992276 0.990840 0.500745 Li\n0.832182 0.342381 0.503321 Li\n0.524951 0.010113 0.517784 Li\n0.151322 0.620908 0.527148 Li\n0.246891 0.459319 0.972279 Li\n0.916815 0.171612 0.007308 Mn\n0.419389 0.169659 0.983497 Mn\n0.457746 0.566316 0.223125 O\n0.605680 0.209493 0.228496 O\n0.789760 0.933381 0.232868 O\n0.112989 0.229902 0.238973 O\n0.967242 0.575047 0.243344 O\n0.538522 0.448344 0.747746 O\n0.383263 0.777562 0.757198 O\n0.210839 0.052691 0.768201 O\n0.879436 0.780690 0.769520 O\n0.717907 0.088660 0.776474 O\n0.042377 0.418693 0.788904 O\n0.586481 0.830557 0.991882 V\n0.075304 0.830336 0.995611 V\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"V"
],
"chemical_system": "Li-Mn-O-V",
"density": 3.5823742881351714,
"density_atomic": 0.11193633430359945,
"volume": 205.47394322935594,
"volume_molar": 5.3799696027801325,
"formula_full": "Li8 Mn2 V2 O11",
"formula_reduced": "Li8Mn2V2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -2.22185659085475,
"spacegroup": 1
},
{
"id": "oqmd-694231",
"created_at": "2022-09-04T15:18:01.047115Z",
"updated_at": "2022-09-04T15:18:01.047130Z",
"structure_string": "Li8 Sm4 O11\n1.0\n-6.119752 -9.992614 -0.051111\n-2.836943 4.867131 0.088973\n2.048579 -0.016054 -4.820578\nLi O Sm\n8 11 4\ndirect\n0.457402 0.961966 0.440037 Li\n0.222716 0.787896 0.452574 Li\n0.349330 0.365024 0.472807 Li\n0.696544 0.644450 0.524009 Li\n0.935633 0.931353 0.540990 Li\n0.766035 0.272871 0.559044 Li\n0.252927 0.480370 0.884034 Li\n0.744393 0.517651 0.990132 Li\n0.431617 0.594835 0.205119 O\n0.285178 0.960285 0.208218 O\n0.774815 0.883122 0.279564 O\n0.615302 0.236606 0.289402 O\n0.024828 0.661629 0.373631 O\n0.366625 0.749284 0.689317 O\n0.222800 0.097483 0.703604 O\n0.542969 0.414232 0.713830 O\n0.048949 0.330495 0.803303 O\n0.874326 0.739841 0.803822 O\n0.748989 0.156071 0.859097 O\n0.426074 0.191825 0.001753 Sm\n0.927638 0.180362 0.103043 Sm\n0.077154 0.755666 0.868952 Sm\n0.584306 0.839782 0.982783 Sm\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"O",
"Sm"
],
"chemical_system": "Li-O-Sm",
"density": 4.959051740739877,
"density_atomic": 0.08246174138094708,
"volume": 278.91722409483566,
"volume_molar": 7.302951234293755,
"formula_full": "Li8 Sm4 O11",
"formula_reduced": "Li8Sm4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -2.46797675542027,
"spacegroup": 1
}
]
}