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{
"id": "mp-2572",
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{
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"formula_full": "La6 Al6 O18",
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{
"id": "mp-685675",
"created_at": "2022-09-04T14:48:09.970300Z",
"structure_string": "Li26 B72 O3\n1.0\n8.218433 0.000000 0.000000\n-4.108693 7.118751 0.000000\n-0.014351 -0.006973 16.473483\nLi B O\n26 72 3\ndirect\n0.760567 0.795471 0.256203 Li\n0.360255 0.711252 0.999868 Li\n0.342435 0.684494 0.248703 Li\n0.346894 0.673690 0.499040 Li\n0.346590 0.672647 0.751886 Li\n0.040237 0.802265 0.230128 Li\n0.848929 0.737083 0.500875 Li\n0.846417 0.736130 0.751649 Li\n0.187112 0.375874 0.996995 Li\n0.015289 0.250693 0.497986 Li\n0.147078 0.292728 0.250128 Li\n0.017116 0.250800 0.749919 Li\n0.271780 0.207074 0.501887 Li\n0.272809 0.206076 0.746467 Li\n0.700747 0.397881 0.000026 Li\n0.677845 0.353599 0.247472 Li\n0.676738 0.341100 0.498304 Li\n0.793987 0.105660 0.002145 Li\n0.676924 0.341156 0.752620 Li\n0.752704 0.955920 0.496862 Li\n0.828310 0.103144 0.243065 Li\n0.752489 0.956674 0.754569 Li\n0.320001 0.115602 0.998439 Li\n0.276991 0.104263 0.256808 Li\n0.168738 0.893093 0.496889 Li\n0.167477 0.891181 0.753357 Li\n0.504574 0.010061 0.200413 B\n0.504863 0.010336 0.450331 B\n0.503956 0.008809 0.051486 B\n0.552124 0.882730 0.126472 B\n0.556151 0.889567 0.374825 B\n0.559798 0.895894 0.625608 B\n0.555836 0.889242 0.875025 B\n0.552320 0.677188 0.126175 B\n0.555517 0.683648 0.375367 B\n0.562853 0.692354 0.625657 B\n0.558394 0.684909 0.874904 B\n0.330475 0.881989 0.126233 B\n0.335666 0.889891 0.374006 B\n0.338334 0.896605 0.625399 B\n0.335319 0.889190 0.875887 B\n0.514265 0.517026 0.450700 B\n0.515484 0.519336 0.699747 B\n0.503181 0.508152 0.050771 B\n0.517381 0.521444 0.550841 B\n0.499196 0.505142 0.301467 B\n0.125940 0.674875 0.124780 B\n0.130353 0.684968 0.373158 B\n0.134482 0.691111 0.625383 B\n0.129718 0.684351 0.876067 B\n0.330660 0.455441 0.125245 B\n0.335361 0.463075 0.378832 B\n0.342176 0.470494 0.624814 B\n0.336613 0.463556 0.872169 B\n0.125597 0.454266 0.124927 B\n0.130375 0.464275 0.377425 B\n0.135468 0.470191 0.624640 B\n0.130712 0.463765 0.872768 B\n0.004719 0.499853 0.199721 B\n0.009207 0.520873 0.449785 B\n0.009400 0.511569 0.949194 B\n0.012374 0.520791 0.699491 B\n0.007715 0.507148 0.300659 B\n0.005800 0.506397 0.050265 B\n0.012064 0.522905 0.550495 B\n0.009066 0.516942 0.800210 B\n0.881068 0.553257 0.125184 B\n0.885103 0.562427 0.373052 B\n0.890069 0.568652 0.625566 B\n0.885380 0.561218 0.876194 B\n0.674062 0.553809 0.126051 B\n0.678970 0.561044 0.373543 B\n0.686078 0.569073 0.625727 B\n0.679544 0.561324 0.876669 B\n0.880081 0.331947 0.124513 B\n0.884980 0.341383 0.377049 B\n0.889501 0.347174 0.624798 B\n0.885749 0.339880 0.873798 B\n0.497503 0.501239 0.200510 B\n0.505311 0.512576 0.949446 B\n0.512022 0.514467 0.800093 B\n0.673370 0.128704 0.125664 B\n0.679650 0.135288 0.376986 B\n0.682860 0.141057 0.625289 B\n0.678997 0.134380 0.873658 B\n0.452002 0.332356 0.125086 B\n0.459163 0.340671 0.377373 B\n0.466423 0.349107 0.624911 B\n0.458439 0.340733 0.874365 B\n0.458531 0.135354 0.377188 B\n0.452233 0.127841 0.125783 B\n0.462188 0.142053 0.625094 B\n0.458029 0.134866 0.873744 B\n0.507622 0.016423 0.699730 B\n0.508148 0.013865 0.949148 B\n0.508868 0.015094 0.301215 B\n0.507343 0.014933 0.550820 B\n0.504671 0.011758 0.800419 B\n0.009053 0.016964 0.246000 O\n0.011538 0.011077 0.498683 O\n0.011608 0.010299 0.753016 O\n",
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"volume": 963.7807627582557,
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"formula_full": "Li26 B72 O3",
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"spacegroup": 1
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{
"id": "mp-1099272",
"created_at": "2022-09-04T14:48:08.273687Z",
"structure_string": "K1 Mg6 Zn1\n1.0\n3.051361 -6.754008 0.000000\n3.051361 6.754008 0.000000\n0.000000 0.000000 5.163672\nK Mg Zn\n1 6 1\ndirect\n0.297936 0.702064 0.500000 K\n0.317438 0.191218 0.500000 Mg\n0.808782 0.682562 0.500000 Mg\n0.176714 0.311005 0.000000 Mg\n0.688995 0.823286 0.000000 Mg\n0.701147 0.298853 0.000000 Mg\n0.132858 0.867142 0.000000 Mg\n0.876133 0.123867 0.500000 Zn\n",
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"formula_full": "K1 Mg6 Zn1",
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{
"id": "mp-16773",
"created_at": "2022-09-04T14:48:11.149262Z",
"structure_string": "K2 Tb2 P8 O24\n1.0\n8.450389 0.000000 0.000000\n0.000000 7.356403 0.000000\n0.000000 0.209445 7.973596\nK Tb P O\n2 2 8 24\ndirect\n0.938317 0.732776 0.716762 K\n0.438317 0.267224 0.283238 K\n0.250319 0.761849 0.242067 Tb\n0.750319 0.238151 0.757933 Tb\n0.902056 0.004843 0.381687 P\n0.402056 0.995157 0.618313 P\n0.998749 0.386621 0.397397 P\n0.498749 0.613379 0.602603 P\n0.876126 0.566066 0.092133 P\n0.376126 0.433934 0.907867 P\n0.668939 0.902290 0.099158 P\n0.168939 0.097710 0.900842 P\n0.939293 0.391725 0.574045 O\n0.439293 0.608275 0.425955 O\n0.700061 0.980533 0.926465 O\n0.200061 0.019467 0.073535 O\n0.152943 0.476025 0.353171 O\n0.652943 0.523975 0.646829 O\n0.860834 0.464780 0.273703 O\n0.360834 0.535220 0.726297 O\n0.011614 0.179113 0.339022 O\n0.511614 0.820887 0.660978 O\n0.806222 0.035089 0.537176 O\n0.306222 0.964911 0.462824 O\n0.005992 0.090883 0.828162 O\n0.505993 0.909117 0.171838 O\n0.221298 0.307769 0.892605 O\n0.721298 0.692231 0.107395 O\n0.288226 0.990200 0.779142 O\n0.788226 0.009800 0.220858 O\n0.506563 0.160244 0.617134 O\n0.006563 0.839756 0.382866 O\n0.522778 0.320944 0.928103 O\n0.022778 0.679056 0.071897 O\n0.346270 0.568107 0.042931 O\n0.846270 0.431893 0.957069 O\n",
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"formula_full": "K2 Tb2 P8 O24",
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{
"id": "mp-761120",
"created_at": "2022-09-04T14:48:08.471284Z",
"structure_string": "Li4 Mn8 O4 F20\n1.0\n3.281030 3.289792 0.000000\n-3.281030 3.289792 0.000000\n0.000000 0.790083 18.913183\nLi Mn O F\n4 8 4 20\ndirect\n0.993519 0.008061 0.997288 Li\n0.008061 0.993519 0.497288 Li\n0.497854 0.487789 0.247467 Li\n0.487789 0.497854 0.747467 Li\n0.016758 0.975049 0.164858 Mn\n0.986665 0.980022 0.335846 Mn\n0.975049 0.016758 0.664858 Mn\n0.980022 0.986665 0.835846 Mn\n0.483757 0.520099 0.086116 Mn\n0.522515 0.513398 0.415564 Mn\n0.513398 0.522515 0.915564 Mn\n0.520099 0.483757 0.586116 Mn\n0.802703 0.796567 0.412219 O\n0.796567 0.802703 0.912219 O\n0.690419 0.297483 0.661895 O\n0.297483 0.690419 0.161895 O\n0.795576 0.800179 0.082214 F\n0.800179 0.795576 0.582214 F\n0.811309 0.784973 0.247174 F\n0.784973 0.811309 0.747174 F\n0.686206 0.324755 0.008258 F\n0.710980 0.302083 0.496846 F\n0.718571 0.272524 0.165778 F\n0.700299 0.305646 0.835973 F\n0.707253 0.292905 0.332639 F\n0.292905 0.707253 0.832639 F\n0.305646 0.700299 0.335973 F\n0.272524 0.718571 0.665778 F\n0.302083 0.710980 0.996846 F\n0.324755 0.686206 0.508258 F\n0.192114 0.176845 0.257188 F\n0.176845 0.192114 0.757188 F\n0.225893 0.216304 0.416793 F\n0.216304 0.225893 0.916793 F\n0.199810 0.203122 0.585883 F\n0.203122 0.199810 0.085883 F\n",
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"formula_full": "Li4 Mn8 O4 F20",
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{
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"structure_string": "Mn6 O7 F5\n1.0\n4.693038 0.000000 0.000000\n0.400197 5.626686 0.000000\n0.295492 0.609391 7.640216\nMn O F\n6 7 5\ndirect\n0.505249 0.492253 0.003051 Mn\n0.512456 0.831546 0.653932 Mn\n0.497186 0.167564 0.337919 Mn\n0.020769 0.337464 0.682149 Mn\n0.981279 0.658704 0.316658 Mn\n0.983463 0.011355 0.006782 Mn\n0.812235 0.718571 0.094652 O\n0.693338 0.207186 0.109443 O\n0.688597 0.531818 0.768263 O\n0.701812 0.872945 0.427125 O\n0.305105 0.123406 0.567622 O\n0.312667 0.468910 0.232268 O\n0.186077 0.282607 0.905136 O\n0.814092 0.361148 0.452354 F\n0.799769 0.024238 0.778487 F\n0.298652 0.798665 0.892917 F\n0.187154 0.638603 0.549597 F\n0.200100 0.973019 0.221644 F\n",
"nsites": 18,
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{
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.984716 0.000000 0.000000\n0.361114 9.748632 0.000000\n0.163565 2.188907 9.885298\nLi Mn Co O\n9 2 5 16\ndirect\n0.996652 0.497712 0.744525 Li\n0.505907 0.248955 0.380995 Li\n0.000000 0.000000 0.000000 Li\n0.494093 0.751045 0.619005 Li\n0.496849 0.248803 0.870128 Li\n0.000000 0.000000 0.500000 Li\n0.503151 0.751197 0.129872 Li\n0.003348 0.502288 0.255475 Li\n0.500000 0.500000 0.500000 Li\n0.999552 0.747810 0.873036 Mn\n0.000448 0.252190 0.126964 Mn\n0.504674 0.005277 0.746087 Co\n0.999172 0.737705 0.379586 Co\n0.500000 0.500000 0.000000 Co\n0.000828 0.262295 0.620414 Co\n0.495326 0.994723 0.253913 Co\n0.467305 0.623181 0.821492 O\n0.996583 0.360859 0.453673 O\n0.463281 0.124676 0.071657 O\n0.011880 0.877417 0.697596 O\n0.016329 0.386674 0.952067 O\n0.470395 0.124866 0.572823 O\n0.004276 0.870272 0.202522 O\n0.478211 0.632224 0.316348 O\n0.521789 0.367776 0.683652 O\n0.988120 0.122583 0.302404 O\n0.536719 0.875324 0.928343 O\n0.003417 0.639141 0.546327 O\n0.995724 0.129728 0.797478 O\n0.529605 0.875134 0.427177 O\n0.983671 0.613326 0.047933 O\n0.532695 0.376819 0.178508 O\n",
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