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{
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"structure_string": "Mg12 V8 Ge12 O48\n1.0\n-6.066210 6.066210 6.066210\n6.066210 -6.066210 6.066210\n6.066210 6.066210 -6.066210\nMg V Ge O\n12 8 12 48\ndirect\n0.250000 0.875000 0.625000 Mg\n0.750000 0.625000 0.875000 Mg\n0.625000 0.875000 0.750000 Mg\n0.875000 0.625000 0.250000 Mg\n0.625000 0.250000 0.875000 Mg\n0.875000 0.750000 0.625000 Mg\n0.750000 0.125000 0.375000 Mg\n0.250000 0.375000 0.125000 Mg\n0.375000 0.125000 0.250000 Mg\n0.125000 0.375000 0.750000 Mg\n0.375000 0.750000 0.125000 Mg\n0.125000 0.250000 0.375000 Mg\n0.500000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.125000 0.750000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.625000 0.375000 0.250000 Ge\n0.750000 0.875000 0.125000 Ge\n0.875000 0.125000 0.750000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.125000 0.875000 Ge\n0.125000 0.875000 0.250000 Ge\n0.375000 0.625000 0.750000 Ge\n0.625000 0.750000 0.375000 Ge\n0.375000 0.250000 0.625000 Ge\n0.417171 0.816882 0.789513 O\n0.872342 0.399711 0.082829 O\n0.100289 0.972631 0.683118 O\n0.527369 0.627658 0.710487 O\n0.683118 0.082829 0.710487 O\n0.627658 0.710487 0.527369 O\n0.627658 0.417171 0.100289 O\n0.710487 0.527369 0.627658 O\n0.816882 0.527369 0.399711 O\n0.972631 0.789513 0.872342 O\n0.789513 0.872342 0.972631 O\n0.710487 0.683118 0.082829 O\n0.417171 0.100289 0.627658 O\n0.399711 0.816882 0.527369 O\n0.082829 0.710487 0.683118 O\n0.100289 0.627658 0.417171 O\n0.527369 0.399711 0.816882 O\n0.082829 0.872342 0.399711 O\n0.972631 0.683118 0.100289 O\n0.183118 0.472631 0.600289 O\n0.683118 0.100289 0.972631 O\n0.789513 0.417171 0.816882 O\n0.399711 0.082829 0.872342 O\n0.872342 0.972631 0.789513 O\n0.582829 0.183118 0.210487 O\n0.127658 0.600289 0.917171 O\n0.899711 0.027369 0.316882 O\n0.472631 0.372342 0.289513 O\n0.316882 0.917171 0.289513 O\n0.372342 0.289513 0.472631 O\n0.372342 0.582829 0.899711 O\n0.289513 0.472631 0.372342 O\n0.127658 0.027369 0.210487 O\n0.600289 0.917171 0.127658 O\n0.210487 0.582829 0.183118 O\n0.183118 0.210487 0.582829 O\n0.316882 0.899711 0.027369 O\n0.027369 0.316882 0.899711 O\n0.917171 0.127658 0.600289 O\n0.472631 0.600289 0.183118 O\n0.899711 0.372342 0.582829 O\n0.917171 0.289513 0.316882 O\n0.600289 0.183118 0.472631 O\n0.582829 0.899711 0.372342 O\n0.289513 0.316882 0.917171 O\n0.210487 0.127658 0.027369 O\n0.027369 0.210487 0.127658 O\n0.816882 0.789513 0.417171 O\n",
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],
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"formula_full": "Mg12 V8 Ge12 O48",
"formula_reduced": "Mg3V2(GeO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -580.32501939,
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"spacegroup": 230
},
{
"id": "mp-779083",
"created_at": "2022-09-04T14:41:17.458567Z",
"structure_string": "Li2 V3 Sn1 O8\n1.0\n5.238024 -3.022108 0.000000\n5.238024 3.022108 0.000000\n3.494402 0.000000 4.935503\nLi V Sn O\n2 3 1 8\ndirect\n0.120342 0.120342 0.120342 Li\n0.499448 0.499448 0.499448 Li\n0.493099 0.023377 0.493099 V\n0.023377 0.493099 0.493099 V\n0.493099 0.493099 0.023377 V\n0.879473 0.879473 0.879473 Sn\n0.257306 0.257306 0.257306 O\n0.251507 0.251507 0.713758 O\n0.713758 0.251507 0.251507 O\n0.251507 0.713758 0.251507 O\n0.745042 0.284505 0.745042 O\n0.284505 0.745042 0.745042 O\n0.745042 0.745042 0.284505 O\n0.742494 0.742494 0.742494 O\n",
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"formula_full": "Li2 V3 Sn1 O8",
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},
{
"id": "mp-1260244",
"created_at": "2022-09-04T14:44:16.270542Z",
"structure_string": "Al4 Sn4 O14\n1.0\n0.000000 4.970109 4.970109\n4.970109 0.000000 4.970109\n4.970109 4.970109 0.000000\nAl Sn O\n4 4 14\ndirect\n0.125000 0.125000 0.125000 Al\n0.625000 0.125000 0.125000 Al\n0.125000 0.125000 0.625000 Al\n0.125000 0.625000 0.125000 Al\n0.625000 0.625000 0.625000 Sn\n0.125000 0.625000 0.625000 Sn\n0.625000 0.625000 0.125000 Sn\n0.625000 0.125000 0.625000 Sn\n0.000000 0.000000 0.000000 O\n0.250000 0.250000 0.250000 O\n0.268609 0.268609 0.731391 O\n0.518609 0.518609 0.981391 O\n0.731391 0.268609 0.731391 O\n0.731391 0.268609 0.268609 O\n0.268609 0.731391 0.731391 O\n0.268609 0.731391 0.268609 O\n0.731391 0.731391 0.268609 O\n0.981391 0.518609 0.518609 O\n0.518609 0.981391 0.981391 O\n0.981391 0.981391 0.518609 O\n0.981391 0.518609 0.981391 O\n0.518609 0.981391 0.518609 O\n",
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"volume": 245.543100742894,
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"formula_full": "Al4 Sn4 O14",
"formula_reduced": "Al2Sn2O7",
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},
{
"id": "mp-771004",
"created_at": "2022-09-04T14:41:45.382139Z",
"structure_string": "Li6 Fe3 Sb3 O16\n1.0\n5.954510 0.000000 0.000000\n-2.944659 5.252525 0.000000\n-0.040985 -0.107771 9.991917\nLi Fe Sb O\n6 3 3 16\ndirect\n0.663670 0.333298 0.515438 Li\n0.672275 0.330726 0.866212 Li\n0.977611 0.012918 0.996284 Li\n0.982086 0.010700 0.504779 Li\n0.338655 0.666006 0.994067 Li\n0.336503 0.672097 0.394004 Li\n0.834059 0.166530 0.217177 Fe\n0.665819 0.830123 0.713859 Fe\n0.172300 0.335272 0.716879 Fe\n0.834033 0.662156 0.215934 Sb\n0.338124 0.166418 0.215913 Sb\n0.170363 0.828745 0.714142 Sb\n0.841349 0.695459 0.605101 O\n0.512769 0.487985 0.329020 O\n0.672847 0.326367 0.104591 O\n0.996834 0.005204 0.321738 O\n0.976876 0.968357 0.820347 O\n0.302088 0.162009 0.611807 O\n0.974760 0.477434 0.320863 O\n0.526098 0.030142 0.321886 O\n0.154598 0.845035 0.101709 O\n0.843368 0.148693 0.625901 O\n0.492937 0.964022 0.824561 O\n0.038243 0.504285 0.820188 O\n0.357919 0.694126 0.599060 O\n0.690957 0.851901 0.114337 O\n0.488244 0.520383 0.809546 O\n0.144916 0.303909 0.112495 O\n",
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],
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"formula_full": "Li6 Fe3 Sb3 O16",
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{
"id": "mp-779588",
"created_at": "2022-09-04T14:46:04.815832Z",
"structure_string": "Li4 Cu8 P4 O16\n1.0\n5.567499 0.000000 0.000000\n0.129071 6.261751 0.000000\n0.120295 0.168818 10.244601\nLi Cu P O\n4 8 4 16\ndirect\n0.146856 0.007762 0.250769 Li\n0.153777 0.998298 0.749687 Li\n0.327339 0.247369 0.504923 Li\n0.684154 0.248140 0.753565 Li\n0.341183 0.274740 0.988989 Cu\n0.654332 0.282313 0.255647 Cu\n0.750080 0.510905 0.012247 Cu\n0.750862 0.507730 0.510483 Cu\n0.646122 0.702014 0.271892 Cu\n0.655288 0.707432 0.776247 Cu\n0.369794 0.732794 0.498201 Cu\n0.367448 0.718530 0.989575 Cu\n0.849919 0.005079 0.999606 P\n0.842159 0.012852 0.502515 P\n0.177519 0.491355 0.740120 P\n0.178371 0.501650 0.250785 P\n0.839185 0.011562 0.350825 O\n0.103171 0.014042 0.554637 O\n0.843488 0.001872 0.848286 O\n0.110253 0.001004 0.053080 O\n0.689547 0.207235 0.556233 O\n0.707921 0.207429 0.049640 O\n0.322207 0.288153 0.788006 O\n0.303735 0.296275 0.308216 O\n0.170161 0.498859 0.099886 O\n0.917226 0.503753 0.306747 O\n0.179576 0.496034 0.588682 O\n0.914557 0.479999 0.793390 O\n0.294060 0.716189 0.294426 O\n0.292391 0.703668 0.789274 O\n0.709546 0.812401 0.560661 O\n0.707768 0.812566 0.060171 O\n",
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"formula_full": "Li4 Cu8 P4 O16",
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{
"id": "mp-23743",
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"structure_string": "Al2 H24 Cl6 O12\n1.0\n5.291859 -5.925697 0.000000\n5.291859 5.925697 0.000000\n-1.343594 0.000000 7.830224\nAl H Cl O\n2 24 6 12\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.886703 0.291710 0.085345 H\n0.085345 0.886703 0.291710 H\n0.291710 0.085345 0.886703 H\n0.613297 0.414655 0.208290 H\n0.208290 0.613297 0.414655 H\n0.414655 0.208290 0.613297 H\n0.113297 0.708290 0.914655 H\n0.914655 0.113297 0.708290 H\n0.708290 0.914655 0.113297 H\n0.386703 0.585345 0.791710 H\n0.791710 0.386703 0.585345 H\n0.585345 0.791710 0.386703 H\n0.957790 0.214668 0.258266 H\n0.258266 0.957790 0.214668 H\n0.214668 0.258266 0.957790 H\n0.542210 0.241734 0.285332 H\n0.285332 0.542210 0.241734 H\n0.241734 0.285332 0.542210 H\n0.042210 0.785332 0.741734 H\n0.741734 0.042210 0.785332 H\n0.758266 0.714668 0.457790 H\n0.714668 0.457790 0.758266 H\n0.457790 0.758266 0.714668 H\n0.785332 0.741734 0.042210 H\n0.518697 0.981303 0.250000 Cl\n0.750000 0.481303 0.018697 Cl\n0.018697 0.750000 0.481303 Cl\n0.481303 0.018697 0.750000 Cl\n0.981303 0.250000 0.518697 Cl\n0.250000 0.518697 0.981303 Cl\n0.944758 0.197382 0.130402 O\n0.130402 0.944758 0.197382 O\n0.197382 0.130402 0.944758 O\n0.555242 0.369598 0.302618 O\n0.302618 0.555242 0.369598 O\n0.369598 0.302618 0.555242 O\n0.055242 0.802618 0.869598 O\n0.869598 0.055242 0.802618 O\n0.802618 0.869598 0.055242 O\n0.444758 0.630402 0.697382 O\n0.697382 0.444758 0.630402 O\n0.630402 0.697382 0.444758 O\n",
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{
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"structure_string": "Ho4 Mn2 Ni2 O12\n1.0\n5.602540 0.000000 0.000000\n0.000000 5.259630 0.000000\n0.000000 5.161065 7.575012\nHo Mn Ni O\n4 2 2 12\ndirect\n0.070682 0.725638 0.753039 Ho\n0.929318 0.274362 0.246961 Ho\n0.570682 0.274362 0.746961 Ho\n0.429318 0.725638 0.253039 Ho\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.458421 0.870317 0.742304 O\n0.541579 0.129683 0.257696 O\n0.958421 0.129683 0.757696 O\n0.041579 0.870317 0.242304 O\n0.790898 0.753073 0.561588 O\n0.209102 0.246927 0.438412 O\n0.290898 0.246927 0.938412 O\n0.709102 0.753073 0.061588 O\n0.311531 0.649456 0.551874 O\n0.688469 0.350544 0.448126 O\n0.811531 0.350544 0.948126 O\n0.188469 0.649456 0.051874 O\n",
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{
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{
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{
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{
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}