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{
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"structure_string": "Fe12 Co6 O24\n1.0\n3.019654 -5.230193 0.000000\n3.019654 5.230193 0.000000\n0.000000 0.000000 14.729464\nFe Co O\n12 6 24\ndirect\n0.666276 0.663746 0.876437 Fe\n0.166323 0.667308 0.999282 Fe\n0.336254 0.002530 0.209770 Fe\n0.667308 0.166323 0.000718 Fe\n0.833677 0.500984 0.334052 Fe\n0.997470 0.333724 0.543104 Fe\n0.332692 0.499016 0.332615 Fe\n0.663746 0.666276 0.123563 Fe\n0.499016 0.332692 0.667385 Fe\n0.333724 0.997470 0.456896 Fe\n0.500984 0.833677 0.665948 Fe\n0.002530 0.336254 0.790230 Fe\n0.329951 0.000000 0.833333 Co\n0.000000 0.329951 0.166667 Co\n0.833400 0.000000 0.333333 Co\n0.166600 0.166600 0.000000 Co\n0.670049 0.670049 0.500000 Co\n0.000000 0.833400 0.666667 Co\n0.012168 0.832986 0.920205 O\n0.498693 0.317053 0.919865 O\n0.338150 0.994781 0.077424 O\n0.492644 0.840326 0.922250 O\n0.840326 0.492644 0.077750 O\n0.682947 0.181640 0.253198 O\n0.994781 0.338150 0.922576 O\n0.832986 0.012168 0.079795 O\n0.159674 0.652318 0.255584 O\n0.005219 0.343369 0.410757 O\n0.317053 0.498693 0.080135 O\n0.167014 0.179183 0.253538 O\n0.501307 0.818360 0.413469 O\n0.347682 0.507356 0.588917 O\n0.507356 0.347682 0.411083 O\n0.661850 0.656631 0.255910 O\n0.820817 0.987832 0.586872 O\n0.656631 0.661850 0.744090 O\n0.987832 0.820817 0.413128 O\n0.818360 0.501307 0.586531 O\n0.179183 0.167014 0.746462 O\n0.343369 0.005219 0.589243 O\n0.181640 0.682947 0.746802 O\n0.652318 0.159674 0.744416 O\n",
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{
"id": "mp-1328221",
"created_at": "2022-09-04T14:43:50.435385Z",
"structure_string": "Zn12 Cr8 Ge12 O48\n1.0\n-6.050962 6.050962 6.050962\n6.050962 -6.050962 6.050962\n6.050962 6.050962 -6.050962\nZn Cr Ge O\n12 8 12 48\ndirect\n0.250000 0.875000 0.625000 Zn\n0.750000 0.625000 0.875000 Zn\n0.625000 0.875000 0.750000 Zn\n0.875000 0.625000 0.250000 Zn\n0.625000 0.250000 0.875000 Zn\n0.875000 0.750000 0.625000 Zn\n0.750000 0.125000 0.375000 Zn\n0.250000 0.375000 0.125000 Zn\n0.375000 0.125000 0.250000 Zn\n0.125000 0.375000 0.750000 Zn\n0.375000 0.750000 0.125000 Zn\n0.125000 0.250000 0.375000 Zn\n0.500000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\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\n0.419563 0.818466 0.792710 O\n0.873147 0.398904 0.080437 O\n0.101096 0.974244 0.681534 O\n0.525756 0.626853 0.707290 O\n0.681534 0.080437 0.707290 O\n0.626853 0.707290 0.525756 O\n0.626853 0.419563 0.101096 O\n0.707290 0.525756 0.626853 O\n0.818466 0.525756 0.398904 O\n0.974244 0.792710 0.873147 O\n0.792710 0.873147 0.974244 O\n0.707290 0.681534 0.080437 O\n0.419563 0.101096 0.626853 O\n0.398904 0.818466 0.525756 O\n0.080437 0.707290 0.681534 O\n0.101096 0.626853 0.419563 O\n0.525756 0.398904 0.818466 O\n0.080437 0.873147 0.398904 O\n0.974244 0.681534 0.101096 O\n0.181534 0.474244 0.601096 O\n0.681534 0.101096 0.974244 O\n0.792710 0.419563 0.818466 O\n0.398904 0.080437 0.873147 O\n0.873147 0.974244 0.792710 O\n0.580437 0.181534 0.207290 O\n0.126853 0.601096 0.919563 O\n0.898904 0.025756 0.318466 O\n0.474244 0.373147 0.292710 O\n0.318466 0.919563 0.292710 O\n0.373147 0.292710 0.474244 O\n0.373147 0.580437 0.898904 O\n0.292710 0.474244 0.373147 O\n0.126853 0.025756 0.207290 O\n0.601096 0.919563 0.126853 O\n0.207290 0.580437 0.181534 O\n0.181534 0.207290 0.580437 O\n0.318466 0.898904 0.025756 O\n0.025756 0.318466 0.898904 O\n0.919563 0.126853 0.601096 O\n0.474244 0.601096 0.181534 O\n0.898904 0.373147 0.580437 O\n0.919563 0.292710 0.318466 O\n0.601096 0.181534 0.474244 O\n0.580437 0.898904 0.373147 O\n0.292710 0.318466 0.919563 O\n0.207290 0.126853 0.025756 O\n0.025756 0.207290 0.126853 O\n0.818466 0.792710 0.419563 O\n",
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"volume": 886.2031064507955,
"volume_molar": 6.671049811244944,
"formula_full": "Zn12 Cr8 Ge12 O48",
"formula_reduced": "Zn3Cr2(GeO4)3",
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{
"id": "mp-757515",
"created_at": "2022-09-04T14:43:09.975520Z",
"structure_string": "Li8 Cr4 P8 O32\n1.0\n12.455030 0.000000 0.000000\n0.000000 6.253160 0.000000\n0.000000 1.020195 7.396169\nLi Cr P O\n8 4 8 32\ndirect\n0.224710 0.366139 0.057768 Li\n0.275290 0.866139 0.057768 Li\n0.623733 0.053510 0.542911 Li\n0.123733 0.446490 0.457089 Li\n0.876267 0.553510 0.542911 Li\n0.376267 0.946490 0.457089 Li\n0.724710 0.133861 0.942232 Li\n0.775290 0.633861 0.942232 Li\n0.923589 0.244420 0.228925 Cr\n0.576411 0.744420 0.228925 Cr\n0.423589 0.255580 0.771075 Cr\n0.076411 0.755580 0.771075 Cr\n0.529504 0.259793 0.169972 P\n0.970496 0.759793 0.169972 P\n0.357777 0.461898 0.362969 P\n0.142223 0.961898 0.362969 P\n0.857777 0.038102 0.637031 P\n0.642223 0.538102 0.637031 P\n0.029504 0.240207 0.830028 P\n0.470496 0.740207 0.830028 P\n0.034716 0.272513 0.029629 O\n0.465284 0.772513 0.029629 O\n0.816739 0.329395 0.089791 O\n0.683261 0.829395 0.089791 O\n0.409677 0.334276 0.206717 O\n0.546413 0.045897 0.297302 O\n0.606319 0.433418 0.215829 O\n0.253719 0.011212 0.287174 O\n0.090323 0.834276 0.206717 O\n0.953587 0.545897 0.297302 O\n0.893681 0.933418 0.215829 O\n0.246281 0.511212 0.287174 O\n0.071119 0.157793 0.379673 O\n0.428881 0.657793 0.379673 O\n0.853531 0.207619 0.465940 O\n0.646469 0.707619 0.465940 O\n0.353531 0.292381 0.534060 O\n0.146469 0.792381 0.534060 O\n0.571119 0.342207 0.620327 O\n0.928881 0.842207 0.620327 O\n0.753719 0.488788 0.712826 O\n0.106319 0.066582 0.784171 O\n0.046413 0.454103 0.702698 O\n0.909677 0.165724 0.793283 O\n0.746281 0.988788 0.712826 O\n0.393681 0.566582 0.784171 O\n0.453587 0.954103 0.702698 O\n0.590323 0.665724 0.793283 O\n0.316739 0.170605 0.910209 O\n0.183261 0.670605 0.910209 O\n0.534716 0.227487 0.970371 O\n0.965284 0.727487 0.970371 O\n",
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"formula_full": "Li8 Cr4 P8 O32",
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"spacegroup": 14
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{
"id": "mp-766377",
"created_at": "2022-09-04T14:43:13.265547Z",
"structure_string": "Zn9 Fe15 O32\n1.0\n4.266110 -4.233254 -0.015259\n-4.274213 -0.024041 -4.276355\n12.849586 12.721242 -8.509451\nZn Fe O\n9 15 32\ndirect\n0.216766 0.936716 0.155658 Zn\n0.998462 0.005307 0.000360 Zn\n0.719221 0.935980 0.155519 Zn\n0.470558 0.441986 0.407956 Zn\n0.971398 0.441730 0.407842 Zn\n0.843030 0.688968 0.530637 Zn\n0.718068 0.936725 0.655877 Zn\n0.594760 0.187314 0.781309 Zn\n0.469283 0.438142 0.905831 Zn\n0.344107 0.687278 0.030318 Fe\n0.217024 0.434108 0.155647 Fe\n0.685038 0.367045 0.061455 Fe\n0.433811 0.867431 0.311584 Fe\n0.092769 0.185743 0.281463 Fe\n0.753220 0.507393 0.252401 Fe\n0.969009 0.939934 0.408140 Fe\n0.218822 0.937410 0.656235 Fe\n0.189988 0.370087 0.563607 Fe\n0.245625 0.503074 0.747585 Fe\n0.502428 0.009780 0.499256 Fe\n0.468370 0.934644 0.905331 Fe\n0.718791 0.437901 0.656174 Fe\n0.942534 0.871502 0.814184 Fe\n0.970480 0.437243 0.906206 Fe\n0.044602 0.557729 0.093650 O\n0.511925 0.556458 0.092590 O\n0.399125 0.797748 0.214157 O\n0.038665 0.077148 0.101793 O\n0.391637 0.316148 0.219537 O\n0.149254 0.821000 0.465636 O\n0.916231 0.832781 0.219981 O\n0.268890 0.538773 0.343663 O\n0.519187 0.040716 0.092433 O\n0.263401 0.061273 0.343495 O\n0.151350 0.301125 0.466211 O\n0.028002 0.570784 0.598631 O\n0.670476 0.822505 0.466568 O\n0.789032 0.579897 0.348623 O\n0.923919 0.315401 0.219817 O\n0.666525 0.331586 0.467308 O\n0.407961 0.829501 0.715543 O\n0.797059 0.061213 0.343845 O\n0.543887 0.560500 0.596599 O\n0.030034 0.044901 0.597108 O\n0.909289 0.801644 0.715310 O\n0.409663 0.304126 0.714132 O\n0.165560 0.794347 0.965298 O\n0.528195 0.073907 0.598312 O\n0.279770 0.572574 0.845606 O\n0.891997 0.312728 0.715578 O\n0.626434 0.804320 0.967098 O\n0.162096 0.342640 0.966160 O\n0.295329 0.060796 0.846883 O\n0.781501 0.546073 0.846483 O\n0.778883 0.067793 0.848182 O\n0.656553 0.298430 0.963194 O\n",
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"formula_full": "Zn9 Fe15 O32",
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},
{
"id": "mp-1034358",
"created_at": "2022-09-04T14:39:24.521476Z",
"structure_string": "Sr1 Mg14 Bi1 O16\n1.0\n8.829079 0.000000 0.000000\n0.000000 8.829079 0.000000\n0.000000 0.000000 4.547535\nSr Mg Bi O\n1 14 1 16\ndirect\n-0.000000 -0.000000 -0.000000 Sr\n-0.000000 0.500000 -0.000000 Mg\n0.500000 -0.000000 -0.000000 Mg\n-0.000000 0.257842 0.500000 Mg\n-0.000000 0.742158 0.500000 Mg\n0.500000 0.238556 0.500000 Mg\n0.500000 0.761444 0.500000 Mg\n0.257842 -0.000000 0.500000 Mg\n0.238556 0.500000 0.500000 Mg\n0.742158 -0.000000 0.500000 Mg\n0.761444 0.500000 0.500000 Mg\n0.247988 0.247988 -0.000000 Mg\n0.247988 0.752012 -0.000000 Mg\n0.752012 0.247988 0.000000 Mg\n0.752012 0.752012 -0.000000 Mg\n0.500000 0.500000 -0.000000 Bi\n0.269256 -0.000000 -0.000000 O\n0.232896 0.500000 -0.000000 O\n0.730744 -0.000000 0.000000 O\n0.767104 0.500000 -0.000000 O\n0.250803 0.250803 0.500000 O\n0.250803 0.749197 0.500000 O\n0.749197 0.250803 0.500000 O\n0.749197 0.749197 0.500000 O\n-0.000000 -0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.269256 0.000000 O\n-0.000000 0.730744 -0.000000 O\n0.500000 0.232896 -0.000000 O\n0.500000 0.767104 0.000000 O\n",
"nsites": 32,
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"elements": [
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],
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"energy": -194.15916273,
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{
"id": "mp-705636",
"created_at": "2022-09-04T14:39:45.917834Z",
"structure_string": "Li6 Mn20 O40\n1.0\n5.096197 -0.025262 2.957132\n1.691108 4.783176 2.929085\n-0.109477 -0.256954 29.773659\nLi Mn O\n6 20 40\ndirect\n0.134034 0.144471 0.615405 Li\n0.874876 0.857685 0.181951 Li\n0.850023 0.876741 0.379299 Li\n0.863798 0.890201 0.571160 Li\n0.899544 0.890904 0.763730 Li\n0.888181 0.893994 0.964766 Li\n0.139132 0.096956 0.233391 Mn\n0.013987 0.479014 0.105597 Mn\n0.515108 0.480138 0.103886 Mn\n0.504419 0.483986 0.205522 Mn\n0.151682 0.113732 0.424171 Mn\n0.515108 0.985324 0.103886 Mn\n0.508504 0.489372 0.304336 Mn\n0.507935 0.496708 0.399730 Mn\n0.508504 0.980444 0.304336 Mn\n0.501944 0.502934 0.498871 Mn\n0.013671 0.512670 0.692198 Mn\n0.505670 0.516325 0.592336 Mn\n0.501944 0.000766 0.498871 Mn\n0.510470 0.514612 0.691555 Mn\n0.022569 0.522036 0.886672 Mn\n0.510470 0.017144 0.691555 Mn\n0.522323 0.018603 0.887606 Mn\n0.523521 0.512680 0.790224 Mn\n0.522323 0.521046 0.887606 Mn\n0.515563 0.500570 0.996659 Mn\n0.262189 0.230390 0.064511 O\n0.274048 0.243105 0.147948 O\n0.262189 0.684866 0.064511 O\n0.711683 0.242305 0.060741 O\n0.301976 0.238817 0.253043 O\n0.307001 0.714032 0.152987 O\n0.748451 0.275005 0.151965 O\n0.757247 0.714791 0.062634 O\n0.288418 0.244383 0.344563 O\n0.301976 0.693992 0.253043 O\n0.720757 0.246303 0.257327 O\n0.748451 0.716718 0.151965 O\n0.287496 0.252262 0.450234 O\n0.288032 0.730652 0.350133 O\n0.706165 0.742423 0.261798 O\n0.705906 0.280155 0.353231 O\n0.299003 0.255095 0.538161 O\n0.287496 0.709073 0.450234 O\n0.723109 0.260405 0.451216 O\n0.705906 0.747783 0.353231 O\n0.284521 0.747071 0.544268 O\n0.252445 0.286756 0.646101 O\n0.695949 0.291625 0.549904 O\n0.702281 0.754198 0.457865 O\n0.252445 0.730292 0.646101 O\n0.276140 0.284213 0.731087 O\n0.695949 0.762906 0.549904 O\n0.714014 0.283500 0.643797 O\n0.290756 0.284210 0.840434 O\n0.310035 0.745825 0.739663 O\n0.760559 0.299107 0.739840 O\n0.749878 0.744635 0.652170 O\n0.286787 0.290523 0.926433 O\n0.290756 0.722864 0.840434 O\n0.724228 0.285942 0.840778 O\n0.760559 0.741135 0.739840 O\n0.314201 0.763356 0.931818 O\n0.771196 0.309878 0.929901 O\n0.758307 0.755928 0.845967 O\n0.771196 0.769423 0.929901 O\n",
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