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{
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{
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"structure_string": "P8 N8 O24\n1.0\n5.211823 -5.217151 0.000000\n5.211823 5.217151 0.000000\n0.000000 0.000000 14.281334\nP N O\n8 8 24\ndirect\n0.053663 0.946337 0.135641 P\n0.946337 0.053663 0.864359 P\n0.446337 0.553663 0.635641 P\n0.553663 0.446337 0.364359 P\n0.768072 0.768072 0.000000 P\n0.268072 0.268072 0.500000 P\n0.231928 0.231928 0.000000 P\n0.731928 0.731928 0.500000 P\n0.246861 0.753139 0.918755 N\n0.753139 0.246861 0.081245 N\n0.253139 0.746861 0.418755 N\n0.746861 0.253139 0.581245 N\n0.041448 0.458552 0.250000 N\n0.458552 0.041448 0.750000 N\n0.958552 0.541448 0.750000 N\n0.541448 0.958552 0.250000 N\n0.821701 0.178299 0.145102 O\n0.178299 0.821701 0.854898 O\n0.678299 0.321701 0.645102 O\n0.321701 0.678299 0.354898 O\n0.087348 0.912652 0.234887 O\n0.912652 0.087348 0.765113 O\n0.412652 0.587348 0.734887 O\n0.587348 0.412652 0.265113 O\n0.602345 0.821233 0.049748 O\n0.821233 0.602345 0.950252 O\n0.321233 0.102345 0.549748 O\n0.102345 0.321233 0.450252 O\n0.397655 0.178767 0.950252 O\n0.178767 0.397655 0.049748 O\n0.678767 0.897655 0.450252 O\n0.897655 0.678767 0.549748 O\n0.946942 0.811220 0.075378 O\n0.811220 0.946942 0.924622 O\n0.311220 0.446942 0.575378 O\n0.446942 0.311220 0.424622 O\n0.053058 0.188780 0.924622 O\n0.188780 0.053058 0.075378 O\n0.688780 0.553058 0.424622 O\n0.553058 0.688780 0.575378 O\n",
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{
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"structure_string": "Cs1 Pd1 O3\n1.0\n4.199705 0.000000 0.000000\n0.000000 4.199705 0.000000\n0.000000 0.000000 4.199705\nCs Pd O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
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"structure_string": "Li12 Sn8 P12 O48\n1.0\n9.012821 0.000000 0.000000\n-4.501917 -8.199778 0.000000\n-4.496065 1.494995 -15.595476\nLi Sn P O\n12 8 12 48\ndirect\n0.322868 0.447029 0.341875 Li\n0.765110 0.667052 0.964880 Li\n0.571562 0.753883 0.249919 Li\n0.133995 0.834367 0.534019 Li\n0.521998 0.052936 0.155822 Li\n0.508091 0.005380 0.499532 Li\n0.474778 0.947307 0.844169 Li\n0.868899 0.168718 0.463995 Li\n0.431035 0.248841 0.749686 Li\n0.235309 0.333915 0.033851 Li\n0.683813 0.551147 0.656086 Li\n0.997279 0.495283 0.003986 Li\n0.283850 0.547755 0.529325 Sn\n0.224212 0.516199 0.835891 Sn\n0.872070 0.984432 0.663409 Sn\n0.207862 0.952906 0.969490 Sn\n0.793151 0.046414 0.029696 Sn\n0.127407 0.015435 0.336195 Sn\n0.775797 0.484034 0.163173 Sn\n0.715317 0.453724 0.470392 Sn\n0.047036 0.639184 0.381389 P\n0.445757 0.763530 0.676675 P\n0.412223 0.741722 0.047962 P\n0.621616 0.759052 0.451033 P\n0.006037 0.736668 0.822498 P\n0.027377 0.860343 0.117941 P\n0.973651 0.139713 0.881873 P\n0.994566 0.263372 0.176347 P\n0.378064 0.242117 0.548472 P\n0.588817 0.258524 0.951601 P\n0.553557 0.237494 0.323108 P\n0.950613 0.360438 0.617906 P\n0.121291 0.270621 0.261652 O\n0.054175 0.237799 0.096758 O\n0.023197 0.319542 0.897356 O\n0.049633 0.371418 0.548885 O\n0.316785 0.360792 0.491661 O\n0.081075 0.408954 0.706260 O\n0.131070 0.524060 0.403744 O\n0.458300 0.605199 0.655229 O\n0.369823 0.565487 0.033489 O\n0.024486 0.581113 0.829394 O\n0.492679 0.814968 0.141689 O\n0.409812 0.769918 0.761622 O\n0.478696 0.753922 0.491015 O\n0.282092 0.739323 0.596924 O\n0.234698 0.746975 0.007331 O\n0.192681 0.819816 0.396502 O\n0.537623 0.685972 0.357306 O\n0.869602 0.869858 0.048912 O\n0.613020 0.918266 0.669506 O\n0.536168 0.859911 0.991300 O\n0.033679 0.910159 0.206295 O\n0.768845 0.936382 0.465224 O\n0.204236 0.975727 0.095526 O\n0.198510 0.894300 0.843645 O\n0.802418 0.105587 0.155458 O\n0.796455 0.023608 0.903866 O\n0.229014 0.066033 0.534472 O\n0.966923 0.089961 0.793226 O\n0.465042 0.140643 0.008402 O\n0.387193 0.081781 0.330506 O\n0.131099 0.129181 0.950581 O\n0.465198 0.315079 0.642069 O\n0.803964 0.180406 0.602172 O\n0.766054 0.252241 0.991873 O\n0.717711 0.262454 0.402698 O\n0.519524 0.246070 0.507453 O\n0.589048 0.231721 0.237860 O\n0.506824 0.185219 0.857917 O\n0.975674 0.418780 0.167717 O\n0.633985 0.435381 0.966224 O\n0.539794 0.394971 0.344460 O\n0.866872 0.476445 0.596106 O\n0.916469 0.590033 0.292912 O\n0.684541 0.641786 0.508275 O\n0.948560 0.629221 0.450471 O\n0.978349 0.680074 0.103147 O\n0.946894 0.761818 0.902248 O\n0.878960 0.730585 0.737413 O\n",
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{
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{
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{
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{
"id": "mp-1147523",
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"structure_string": "Ba4 Cu3 Re1 O12\n1.0\n-4.084406 4.084406 4.084406\n4.084406 -4.084406 4.084406\n4.084406 4.084406 -4.084406\nBa Cu Re O\n4 3 1 12\ndirect\n0.000000 0.500000 0.000000 Ba\n0.500000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Re\n0.250000 0.750000 0.500000 O\n0.768051 0.000000 0.768051 O\n0.000000 0.768051 0.768051 O\n0.000000 0.231949 0.231949 O\n0.231949 0.231949 0.000000 O\n0.231949 0.000000 0.231949 O\n0.768051 0.768051 0.000000 O\n0.750000 0.250000 0.500000 O\n0.500000 0.250000 0.750000 O\n0.500000 0.750000 0.250000 O\n0.250000 0.500000 0.750000 O\n0.750000 0.500000 0.250000 O\n",
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"formula_full": "Ba4 Cu3 Re1 O12",
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"updated_at": "2021-11-28T01:36:48.308000Z",
"spacegroup": 229
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{
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{
"id": "mp-1022053",
"created_at": "2022-09-04T14:45:11.453481Z",
"structure_string": "Na2 Mg12 Co2\n1.0\n4.957277 0.000000 0.000000\n0.000000 6.299159 0.000000\n0.000000 0.000000 10.797305\nNa Mg Co\n2 12 2\ndirect\n0.500000 0.500000 0.166429 Na\n0.500000 0.000000 0.666429 Na\n0.000000 0.241053 0.076831 Mg\n0.000000 0.758947 0.076831 Mg\n0.000000 0.500000 0.834707 Mg\n0.500000 0.230127 0.905637 Mg\n0.500000 0.769873 0.905637 Mg\n0.500000 0.500000 0.663702 Mg\n0.000000 0.741053 0.576831 Mg\n0.000000 0.258947 0.576831 Mg\n0.000000 0.000000 0.334707 Mg\n0.500000 0.730127 0.405637 Mg\n0.500000 0.269873 0.405637 Mg\n0.500000 0.000000 0.163702 Mg\n0.000000 0.500000 0.370225 Co\n0.000000 0.000000 0.870225 Co\n",
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]
}