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{
"id": "oqmd-694133",
"created_at": "2022-09-04T15:18:00.127254Z",
"updated_at": "2022-09-04T15:18:00.127294Z",
"structure_string": "Li8 B4 O11\n1.0\n-4.664455 -8.535076 -0.080825\n-2.274420 4.218886 0.142656\n1.677598 -0.091450 -4.679740\nB Li O\n4 8 11\ndirect\n0.041079 0.428203 0.008933 B\n0.358483 0.086102 0.893592 B\n0.042841 0.921289 0.953439 B\n0.643978 0.764235 0.973474 B\n0.343441 0.610952 0.020229 Li\n0.773107 0.453406 0.046326 Li\n0.965752 0.962360 0.460438 Li\n0.668594 0.602491 0.508496 Li\n0.301856 0.341458 0.508879 Li\n0.119058 0.631717 0.518194 Li\n0.802894 0.222396 0.558540 Li\n0.526122 0.038608 0.624424 Li\n0.045922 0.720578 0.167023 O\n0.079580 0.254375 0.167432 O\n0.409849 0.152089 0.210281 O\n0.741347 0.825661 0.232580 O\n0.548007 0.096205 0.274251 O\n0.337138 0.787289 0.716352 O\n0.021515 0.352554 0.731238 O\n0.882681 0.698936 0.736612 O\n0.686232 0.988821 0.817827 O\n0.489738 0.412976 0.820764 O\n0.199865 0.076264 0.842435 O\n",
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{
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"structure_string": "Li8 Ru4 O11\n1.0\n-5.123132 -8.390281 -0.024255\n-2.560339 4.194416 -0.006296\n1.720401 -0.003318 -4.830867\nLi O Ru\n8 11 4\ndirect\n0.986639 0.974081 0.493106 Li\n0.500393 0.999141 0.499790 Li\n0.667298 0.670360 0.501745 Li\n0.344768 0.343100 0.507153 Li\n0.832546 0.324961 0.508406 Li\n0.165884 0.684008 0.515257 Li\n0.251062 0.504955 0.976872 Li\n0.751676 0.499332 0.998065 Li\n0.453731 0.569280 0.225995 O\n0.787228 0.920995 0.228664 O\n0.282970 0.924725 0.233828 O\n0.967590 0.566909 0.235915 O\n0.628906 0.259065 0.264018 O\n0.369202 0.742026 0.728673 O\n0.874612 0.744785 0.743551 O\n0.705158 0.077232 0.764803 O\n0.039315 0.406634 0.765121 O\n0.213992 0.087751 0.773618 O\n0.543567 0.433097 0.774291 O\n0.424095 0.153445 0.001357 Ru\n0.933731 0.152967 0.005730 Ru\n0.079290 0.865840 0.014727 Ru\n0.575561 0.853740 0.996797 Ru\n",
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{
"id": "oqmd-694154",
"created_at": "2022-09-04T15:18:00.152978Z",
"updated_at": "2022-09-04T15:18:00.153008Z",
"structure_string": "Li8 Cu4 O11\n1.0\n-4.995971 -8.625400 -0.176179\n-2.431495 4.273718 0.025612\n1.614093 -0.048580 -4.632714\nCu Li O\n4 8 11\ndirect\n0.084648 0.836494 0.007063 Cu\n0.413445 0.169727 0.991071 Cu\n0.921486 0.160642 0.995309 Cu\n0.586175 0.835407 0.997480 Cu\n0.669289 0.665600 0.487421 Li\n0.502773 0.008468 0.505198 Li\n0.986300 0.959806 0.505487 Li\n0.833645 0.318800 0.510309 Li\n0.352353 0.365443 0.517363 Li\n0.162691 0.693548 0.525780 Li\n0.256363 0.529238 0.979414 Li\n0.749030 0.490817 0.998862 Li\n0.465591 0.573615 0.221631 O\n0.608532 0.211152 0.224593 O\n0.974498 0.570809 0.229767 O\n0.277124 0.937641 0.231191 O\n0.812535 0.947989 0.241215 O\n0.365347 0.781149 0.737196 O\n0.690670 0.050043 0.748225 O\n0.035301 0.370872 0.755406 O\n0.540680 0.438481 0.769997 O\n0.204310 0.092296 0.790025 O\n0.896159 0.769853 0.793719 O\n",
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{
"id": "oqmd-694189",
"created_at": "2022-09-04T15:18:00.169208Z",
"updated_at": "2022-09-04T15:18:00.169240Z",
"structure_string": "Li8 Mo4 O11\n1.0\n-5.085090 -8.468778 -0.047178\n-2.480513 4.195926 -0.028005\n1.653421 0.014825 -5.007734\nLi Mo O\n8 4 11\ndirect\n0.747968 0.499047 0.003700 Li\n0.680183 0.664468 0.496626 Li\n0.996415 0.002716 0.500588 Li\n0.834428 0.327264 0.501334 Li\n0.165752 0.657586 0.507690 Li\n0.511376 0.042902 0.519711 Li\n0.317306 0.321054 0.522793 Li\n0.243461 0.491409 0.977010 Li\n0.062719 0.842347 0.000000 Mo\n0.587552 0.857465 0.995265 Mo\n0.915855 0.144380 0.999059 Mo\n0.427552 0.142527 0.999189 Mo\n0.295056 0.956645 0.231761 O\n0.959894 0.587258 0.244527 O\n0.791108 0.909356 0.251256 O\n0.129618 0.268388 0.253957 O\n0.629182 0.245256 0.266112 O\n0.379633 0.755204 0.715899 O\n0.705526 0.064787 0.737058 O\n0.864092 0.722824 0.741216 O\n0.540703 0.418952 0.762650 O\n0.040938 0.419755 0.764658 O\n0.209958 0.076161 0.779175 O\n",
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{
"id": "oqmd-694130",
"created_at": "2022-09-04T15:18:00.197090Z",
"updated_at": "2022-09-04T15:18:00.197111Z",
"structure_string": "Li8 As4 O11\n1.0\n-5.833910 -9.468448 -0.302962\n-2.574702 4.538007 0.269794\n1.975926 -0.155582 -4.880420\nAs Li O\n4 8 11\ndirect\n0.067352 0.826787 0.024208 As\n0.900496 0.116059 0.054302 As\n0.589652 0.849282 0.093246 As\n0.379018 0.083006 0.851957 As\n0.735612 0.438595 0.053407 Li\n0.478925 0.981131 0.446123 Li\n0.354779 0.391742 0.449626 Li\n0.119092 0.673890 0.503701 Li\n0.649921 0.607113 0.525730 Li\n0.950242 0.975786 0.526804 Li\n0.823452 0.312871 0.581726 Li\n0.239826 0.521232 0.879121 Li\n0.354229 0.984077 0.137078 O\n0.778114 0.892804 0.233690 O\n0.978217 0.688704 0.259954 O\n0.504781 0.637021 0.297586 O\n0.662091 0.245127 0.326076 O\n0.305901 0.711837 0.590085 O\n0.258624 0.174204 0.723541 O\n0.043801 0.480226 0.774284 O\n0.899653 0.778394 0.798537 O\n0.542338 0.307057 0.803837 O\n0.763575 0.082440 0.815179 O\n",
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{
"id": "oqmd-694167",
"created_at": "2022-09-04T15:18:00.290896Z",
"updated_at": "2022-09-04T15:18:00.290931Z",
"structure_string": "Li8 Ge4 O11\n1.0\n-4.982385 -8.622364 0.004880\n-2.433384 4.277759 -0.013056\n1.661261 0.019917 -4.756483\nGe Li O\n4 8 11\ndirect\n0.575889 0.807817 0.000000 Ge\n0.913775 0.164272 0.001050 Ge\n0.424612 0.196161 0.009232 Ge\n0.085313 0.836602 0.999660 Ge\n0.997950 0.997074 0.497235 Li\n0.828882 0.334937 0.497759 Li\n0.172106 0.661965 0.501591 Li\n0.682033 0.661900 0.507915 Li\n0.317202 0.318024 0.513248 Li\n0.505198 0.030566 0.516675 Li\n0.241171 0.501173 0.982086 Li\n0.750270 0.492715 0.997151 Li\n0.288682 0.937197 0.225596 O\n0.968311 0.576000 0.226416 O\n0.112044 0.223053 0.227165 O\n0.789354 0.925068 0.228382 O\n0.610777 0.212358 0.230924 O\n0.535240 0.420171 0.739239 O\n0.031046 0.424527 0.773899 O\n0.211412 0.073383 0.773974 O\n0.389358 0.786302 0.774426 O\n0.892472 0.783327 0.774696 O\n0.709473 0.059201 0.777221 O\n",
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{
"id": "oqmd-694149",
"created_at": "2022-09-04T15:18:00.216584Z",
"updated_at": "2022-09-04T15:18:00.216610Z",
"structure_string": "Li8 Cr4 O11\n1.0\n-5.105348 -8.534463 -0.001991\n-2.545666 4.263262 0.006396\n1.735745 -0.002779 -4.741341\nCr Li O\n4 8 11\ndirect\n0.585756 0.832729 0.005127 Cr\n0.415773 0.177368 0.010252 Cr\n0.903392 0.157790 0.981476 Cr\n0.082122 0.802022 0.982209 Cr\n0.829884 0.341000 0.494739 Li\n0.499598 0.998544 0.501418 Li\n0.670087 0.656655 0.503369 Li\n0.182556 0.720642 0.507081 Li\n0.979422 0.957548 0.508969 Li\n0.353308 0.359041 0.517177 Li\n0.259892 0.518780 0.966081 Li\n0.750124 0.498387 0.994743 Li\n0.784460 0.929293 0.229971 O\n0.609264 0.223201 0.231676 O\n0.458299 0.569578 0.232616 O\n0.972918 0.580667 0.238202 O\n0.289577 0.939301 0.239711 O\n0.701879 0.058962 0.764134 O\n0.038518 0.398309 0.765197 O\n0.387424 0.781195 0.767174 O\n0.882634 0.758329 0.768960 O\n0.215255 0.084330 0.778276 O\n0.536618 0.433846 0.781947 O\n",
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{
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"created_at": "2022-09-04T15:18:00.325516Z",
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"structure_string": "Li8 Au4 O11\n1.0\n-5.438306 -9.718021 -0.652414\n-2.469458 4.714576 0.149970\n1.602131 -0.201056 -4.837246\nAu Li O\n4 8 11\ndirect\n0.933562 0.154612 0.034798 Au\n0.093818 0.860317 0.041007 Au\n0.409006 0.166549 0.971920 Au\n0.582865 0.850199 0.980245 Au\n0.656041 0.695698 0.458234 Li\n0.507210 0.014241 0.497730 Li\n0.967469 0.930012 0.509925 Li\n0.358983 0.390059 0.516153 Li\n0.152133 0.671241 0.538530 Li\n0.857994 0.281086 0.560169 Li\n0.238870 0.512699 0.931240 Li\n0.743051 0.494012 0.990007 Li\n0.587282 0.222782 0.191158 O\n0.283342 0.940468 0.229435 O\n0.468516 0.584754 0.235791 O\n0.977822 0.569594 0.272098 O\n0.816555 0.904542 0.283486 O\n0.341301 0.760115 0.682478 O\n0.681251 0.079182 0.712558 O\n0.541390 0.436883 0.739801 O\n0.043548 0.350633 0.749766 O\n0.222765 0.117167 0.791098 O\n0.906387 0.755482 0.819634 O\n",
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{
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"created_at": "2022-09-04T15:18:00.253507Z",
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"structure_string": "Li8 Mn2 Fe2 O11\n1.0\n-4.974479 -8.638891 0.006318\n-2.527444 4.342523 -0.002392\n1.703047 -0.004993 -4.723440\nFe Li Mn O\n2 8 2 11\ndirect\n0.917106 0.172653 0.012680 Fe\n0.426426 0.188557 0.971102 Fe\n0.749878 0.505271 0.006286 Li\n0.997734 0.985755 0.492810 Li\n0.665305 0.664149 0.494168 Li\n0.339894 0.395280 0.496901 Li\n0.826180 0.330262 0.502320 Li\n0.524125 0.003326 0.515532 Li\n0.156636 0.631303 0.530370 Li\n0.244932 0.459125 0.976295 Li\n0.583075 0.839662 0.002000 Mn\n0.066519 0.819744 0.984812 Mn\n0.460053 0.582081 0.222826 O\n0.605739 0.214601 0.234379 O\n0.780927 0.923314 0.237064 O\n0.121930 0.214849 0.237970 O\n0.978350 0.600753 0.242496 O\n0.537143 0.439113 0.749120 O\n0.884185 0.760693 0.760765 O\n0.385692 0.773486 0.762890 O\n0.707815 0.073924 0.779901 O\n0.207183 0.049170 0.781882 O\n0.043019 0.436932 0.783435 O\n",
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"volume": 205.156431305949,
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"formula_full": "Li8 Mn2 Fe2 O11",
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{
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"created_at": "2022-09-04T15:18:00.324848Z",
"updated_at": "2022-09-04T15:18:00.324871Z",
"structure_string": "Li8 Ho4 O11\n1.0\n-5.546594 -9.938167 -0.035644\n-2.739847 4.950811 -0.089072\n1.775013 0.040502 -4.739507\nHo Li O\n4 8 11\ndirect\n0.917302 0.164717 0.003676 Ho\n0.087281 0.843031 0.007876 Ho\n0.589334 0.839860 0.969675 Ho\n0.413679 0.129923 0.970305 Ho\n0.755022 0.503725 0.014704 Li\n0.181815 0.621771 0.481689 Li\n0.989462 0.982040 0.494523 Li\n0.700290 0.631383 0.495843 Li\n0.820992 0.355764 0.508259 Li\n0.524916 0.090742 0.513578 Li\n0.298250 0.334434 0.534180 Li\n0.225660 0.484247 0.963970 Li\n0.620134 0.237815 0.235046 O\n0.779213 0.883596 0.240401 O\n0.120981 0.242581 0.257248 O\n0.294524 0.912364 0.260349 O\n0.960211 0.578540 0.269830 O\n0.533937 0.422394 0.720892 O\n0.709579 0.094190 0.740279 O\n0.043633 0.429373 0.745105 O\n0.373691 0.738731 0.749517 O\n0.880550 0.756375 0.760883 O\n0.227436 0.145150 0.805125 O\n",
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"elements": [
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"formula_full": "Li8 Ho4 O11",
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{
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"created_at": "2022-09-04T15:18:01.351408Z",
"updated_at": "2022-09-04T15:18:01.351435Z",
"structure_string": "Co2 O5\n1.0\n-2.440766 -4.215761 0.035494\n-2.329841 4.151974 0.030020\n1.684464 0.024877 -4.129054\nCo O\n2 5\ndirect\n0.827226 0.132871 0.987927 Co\n0.191450 0.862863 0.991581 Co\n0.591571 0.967365 0.238345 O\n0.208055 0.204793 0.245360 O\n0.778459 0.764088 0.756212 O\n0.423923 0.059217 0.756860 O\n0.042998 0.427843 0.796422 O\n",
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"elements": [
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"density": 4.0098621027092545,
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"volume": 81.9379521113509,
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"formula_full": "Co2 O5",
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"spacegroup": 1
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{
"id": "oqmd-694211",
"created_at": "2022-09-04T15:18:00.247310Z",
"updated_at": "2022-09-04T15:18:00.247337Z",
"structure_string": "Li8 Pr4 O11\n1.0\n-5.298436 -11.584011 -1.103985\n-2.658614 5.764186 0.264036\n1.549634 -0.371297 -4.418548\nLi O Pr\n8 11 4\ndirect\n0.819124 0.528561 0.099286 Li\n0.237957 0.583501 0.405671 Li\n0.462381 0.033278 0.416054 Li\n0.297993 0.175361 0.481634 Li\n0.808575 0.448196 0.558965 Li\n0.694592 0.596318 0.583461 Li\n0.024955 0.009752 0.652863 Li\n0.262484 0.562535 0.885311 Li\n0.291864 0.357327 0.161199 O\n0.272892 0.852307 0.197178 O\n0.645091 0.809205 0.238868 O\n0.646662 0.290388 0.244507 O\n0.978409 0.641738 0.384541 O\n0.081230 0.361908 0.606500 O\n0.500906 0.412247 0.608081 O\n0.409177 0.850998 0.704446 O\n0.832087 0.255915 0.799034 O\n0.222115 0.173031 0.834191 O\n0.868561 0.790139 0.872824 O\n0.467159 0.284873 0.047799 Pr\n0.884803 0.136710 0.247825 Pr\n0.592828 0.890297 0.790513 Pr\n0.074970 0.709046 0.923536 Pr\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"O",
"Pr"
],
"chemical_system": "Li-O-Pr",
"density": 4.809434231377469,
"density_atomic": 0.0837765695525523,
"volume": 274.53976837249587,
"volume_molar": 7.188335345030289,
"formula_full": "Li8 Pr4 O11",
"formula_reduced": "Li8Pr4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -2.50682520063767,
"spacegroup": 1
}
]
}