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{
"id": "mp-758741",
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{
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{
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{
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"structure_string": "Cs4 Pr4 C8 O24\n1.0\n8.714986 0.000000 0.000000\n-0.994796 8.984600 0.000000\n-3.771170 -1.831104 8.012550\nCs Pr C O\n4 4 8 24\ndirect\n0.754714 0.970240 0.968606 Cs\n0.245286 0.029760 0.031394 Cs\n0.759307 0.473038 0.809928 Cs\n0.240693 0.526962 0.190072 Cs\n0.739785 0.952174 0.477955 Pr\n0.260215 0.047826 0.522045 Pr\n0.758672 0.459247 0.285451 Pr\n0.241328 0.540753 0.714549 Pr\n0.029892 0.289544 0.295358 C\n0.970108 0.710456 0.704642 C\n0.458652 0.258336 0.858447 C\n0.002873 0.212241 0.725776 C\n0.997127 0.787759 0.274224 C\n0.541348 0.741664 0.141553 C\n0.418200 0.768242 0.604417 C\n0.581800 0.231758 0.395583 C\n0.065411 0.400075 0.424946 O\n0.503409 0.125991 0.436482 O\n0.277223 0.791167 0.616615 O\n0.722777 0.208833 0.383385 O\n0.528919 0.356382 0.365854 O\n0.471081 0.643618 0.634146 O\n0.934589 0.599925 0.575054 O\n0.496591 0.874009 0.563518 O\n0.956590 0.882417 0.371831 O\n0.043410 0.117583 0.628169 O\n0.865359 0.164032 0.740614 O\n0.134641 0.835968 0.259386 O\n0.905373 0.652729 0.197181 O\n0.094627 0.347271 0.802819 O\n0.098573 0.705243 0.843165 O\n0.881239 0.815324 0.695473 O\n0.396544 0.320661 0.727856 O\n0.603456 0.679339 0.272144 O\n0.437577 0.110737 0.828382 O\n0.562423 0.889263 0.171618 O\n0.461739 0.658946 0.992906 O\n0.538261 0.341054 0.007094 O\n0.118761 0.184676 0.304527 O\n0.901427 0.294757 0.156835 O\n",
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"formula_full": "Cs4 Pr4 C8 O24",
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},
{
"id": "mp-1246730",
"created_at": "2022-09-04T14:44:23.430714Z",
"structure_string": "Co16 Ge40 N64\n1.0\n11.204845 0.000000 0.000000\n0.000000 10.421417 0.000000\n0.000000 0.000000 14.079472\nCo Ge N\n16 40 64\ndirect\n0.050913 0.135402 0.013469 Co\n0.550913 0.364598 0.986531 Co\n0.949087 0.635402 0.486531 Co\n0.449087 0.864598 0.513469 Co\n0.949087 0.864598 0.986531 Co\n0.449087 0.635402 0.013469 Co\n0.050913 0.364598 0.513469 Co\n0.550913 0.135402 0.486531 Co\n0.314714 0.120464 0.029795 Co\n0.814714 0.379536 0.970205 Co\n0.685286 0.620464 0.470205 Co\n0.185286 0.879536 0.529795 Co\n0.685286 0.879536 0.970205 Co\n0.185286 0.620464 0.029795 Co\n0.314714 0.379536 0.529795 Co\n0.814714 0.120464 0.470205 Co\n0.392827 0.255010 0.834095 Ge\n0.892827 0.244990 0.165905 Ge\n0.607173 0.755010 0.665905 Ge\n0.107173 0.744990 0.334095 Ge\n0.607173 0.744990 0.165905 Ge\n0.107173 0.755010 0.834095 Ge\n0.392827 0.244990 0.334095 Ge\n0.892827 0.255010 0.665905 Ge\n0.155137 0.253314 0.714556 Ge\n0.655137 0.246686 0.285444 Ge\n0.844863 0.753314 0.785444 Ge\n0.344863 0.746686 0.214556 Ge\n0.844863 0.746686 0.285444 Ge\n0.344863 0.753314 0.714556 Ge\n0.155137 0.246686 0.214556 Ge\n0.655137 0.253314 0.785444 Ge\n0.257522 0.999192 0.830513 Ge\n0.757522 0.500808 0.169487 Ge\n0.742478 0.499192 0.669487 Ge\n0.242478 0.000808 0.330513 Ge\n0.742478 0.000808 0.169487 Ge\n0.242478 0.499192 0.830513 Ge\n0.257522 0.500808 0.330513 Ge\n0.757522 0.999192 0.669487 Ge\n0.982779 0.022047 0.795800 Ge\n0.482779 0.477953 0.204200 Ge\n0.017221 0.522047 0.704200 Ge\n0.517221 0.977953 0.295800 Ge\n0.017221 0.977953 0.204200 Ge\n0.517221 0.522047 0.795800 Ge\n0.982779 0.477953 0.295800 Ge\n0.482779 0.022047 0.704200 Ge\n0.798158 0.132974 0.969576 Ge\n0.298158 0.367026 0.030424 Ge\n0.201842 0.632974 0.530424 Ge\n0.701842 0.867026 0.469576 Ge\n0.201842 0.867026 0.030424 Ge\n0.701842 0.632974 0.969576 Ge\n0.798158 0.367026 0.469576 Ge\n0.298158 0.132974 0.530424 Ge\n0.910167 0.244952 0.033882 N\n0.410167 0.255048 0.966118 N\n0.089833 0.744952 0.466118 N\n0.589833 0.755048 0.533882 N\n0.089833 0.755048 0.966118 N\n0.589833 0.744952 0.033882 N\n0.910167 0.255048 0.533882 N\n0.410167 0.244952 0.466118 N\n0.937707 0.045845 0.923571 N\n0.437707 0.454155 0.076429 N\n0.062293 0.545845 0.576429 N\n0.562293 0.954155 0.423571 N\n0.062293 0.954155 0.076429 N\n0.562293 0.545845 0.923571 N\n0.937707 0.454155 0.423571 N\n0.437707 0.045845 0.576429 N\n0.698710 0.263077 0.913279 N\n0.198710 0.236923 0.086721 N\n0.301290 0.763077 0.586721 N\n0.801290 0.736923 0.413279 N\n0.301290 0.736923 0.086721 N\n0.801290 0.763077 0.913279 N\n0.698710 0.236923 0.413279 N\n0.198710 0.263077 0.586721 N\n0.290569 0.977017 0.957318 N\n0.790569 0.522983 0.042682 N\n0.709431 0.477017 0.542682 N\n0.209431 0.022983 0.457318 N\n0.709431 0.022983 0.042682 N\n0.209431 0.477017 0.957318 N\n0.290569 0.522983 0.457318 N\n0.790569 0.977017 0.542682 N\n0.012975 0.165819 0.722914 N\n0.512975 0.334181 0.277086 N\n0.987025 0.665819 0.777086 N\n0.487025 0.834181 0.222914 N\n0.987025 0.834181 0.277086 N\n0.487025 0.665819 0.722914 N\n0.012975 0.334181 0.222914 N\n0.512975 0.165819 0.777086 N\n0.370930 0.918228 0.759044 N\n0.870930 0.581772 0.240956 N\n0.629070 0.418228 0.740956 N\n0.129070 0.081772 0.259044 N\n0.629070 0.081772 0.240956 N\n0.129070 0.418228 0.759044 N\n0.370930 0.581772 0.259044 N\n0.870930 0.918228 0.740956 N\n0.256346 0.171327 0.797529 N\n0.756346 0.328673 0.202471 N\n0.743654 0.671327 0.702471 N\n0.243654 0.828673 0.297529 N\n0.743654 0.828673 0.202471 N\n0.243654 0.671327 0.797529 N\n0.256346 0.328673 0.297529 N\n0.756346 0.171327 0.702471 N\n0.118794 0.922976 0.791434 N\n0.618794 0.577024 0.208566 N\n0.881206 0.422976 0.708566 N\n0.381206 0.077024 0.291434 N\n0.881206 0.077024 0.208566 N\n0.381206 0.422976 0.791434 N\n0.118794 0.577024 0.291434 N\n0.618794 0.922976 0.708566 N\n",
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{
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"structure_string": "Li4 Cr4 P12 O36\n1.0\n7.909315 0.000000 0.000000\n0.000000 8.802865 0.000000\n0.000000 0.000000 12.764703\nLi Cr P O\n4 4 12 36\ndirect\n0.009944 0.373466 0.988627 Li\n0.490056 0.626534 0.488627 Li\n0.509944 0.126534 0.011373 Li\n0.990056 0.873466 0.511373 Li\n0.137431 0.207826 0.628120 Cr\n0.362569 0.792174 0.128120 Cr\n0.637431 0.292174 0.371880 Cr\n0.862569 0.707826 0.871880 Cr\n0.208256 0.003415 0.339126 P\n0.158492 0.480504 0.189241 P\n0.247161 0.671149 0.892732 P\n0.252839 0.328851 0.392732 P\n0.341508 0.519496 0.689241 P\n0.291744 0.996585 0.839126 P\n0.708256 0.496585 0.660874 P\n0.658492 0.019496 0.810759 P\n0.747161 0.828851 0.107268 P\n0.752839 0.171149 0.607268 P\n0.841508 0.980504 0.310759 P\n0.791744 0.503415 0.160874 P\n0.978378 0.568468 0.188704 O\n0.084064 0.581503 0.906550 O\n0.139726 0.396155 0.301422 O\n0.209718 0.398898 0.702752 O\n0.188897 0.835184 0.848346 O\n0.280881 0.929034 0.244090 O\n0.204912 0.922578 0.441880 O\n0.170160 0.367881 0.102440 O\n0.136834 0.312095 0.484348 O\n0.363166 0.687905 0.984348 O\n0.329840 0.632119 0.602440 O\n0.295088 0.077422 0.941880 O\n0.219119 0.070966 0.744090 O\n0.311103 0.164816 0.348346 O\n0.290282 0.601102 0.202752 O\n0.360274 0.603845 0.801422 O\n0.415936 0.418497 0.406550 O\n0.521622 0.431532 0.688704 O\n0.478378 0.931532 0.811296 O\n0.584064 0.918497 0.093450 O\n0.639726 0.103845 0.698578 O\n0.709718 0.101102 0.297248 O\n0.688897 0.664816 0.151654 O\n0.780881 0.570966 0.755910 O\n0.704912 0.577422 0.558120 O\n0.670160 0.132119 0.897560 O\n0.636834 0.187905 0.515652 O\n0.863166 0.812095 0.015652 O\n0.829840 0.867881 0.397560 O\n0.795088 0.422578 0.058120 O\n0.719119 0.429034 0.255910 O\n0.811103 0.335184 0.651654 O\n0.790282 0.898898 0.797248 O\n0.860274 0.896155 0.198578 O\n0.915936 0.081503 0.593450 O\n0.021622 0.068468 0.311296 O\n",
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{
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"structure_string": "La1 Fe5 H12\n1.0\n2.878552 -4.985798 0.000000\n2.878552 4.985798 0.000000\n0.000000 0.000000 4.272650\nLa Fe H\n1 5 12\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.666667 0.333333 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.333333 0.666667 0.000000 Fe\n0.787487 0.574975 0.737933 H\n0.212513 0.425025 0.262067 H\n0.212513 0.787487 0.262067 H\n0.787487 0.212513 0.262067 H\n0.574975 0.787487 0.262067 H\n0.425025 0.212513 0.262067 H\n0.425025 0.212513 0.737933 H\n0.212513 0.425025 0.737933 H\n0.787487 0.212513 0.737933 H\n0.574975 0.787487 0.737933 H\n0.787487 0.574975 0.262067 H\n0.212513 0.787487 0.737933 H\n",
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{
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