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{
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{
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{
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{
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"structure_string": "Mn8 C32 Cl8 O32\n1.0\n11.973721 0.000000 0.000000\n0.000000 9.716159 0.000000\n0.000000 4.381276 12.314609\nMn C Cl O\n8 32 8 32\ndirect\n0.879584 0.405611 0.825022 Mn\n0.379584 0.594389 0.674978 Mn\n0.120416 0.594389 0.174978 Mn\n0.620416 0.405611 0.325022 Mn\n0.873590 0.810729 0.722819 Mn\n0.373590 0.189271 0.777181 Mn\n0.126410 0.189271 0.277181 Mn\n0.626410 0.810729 0.222819 Mn\n0.967012 0.412922 0.702976 C\n0.467012 0.587078 0.797024 C\n0.032988 0.587078 0.297024 C\n0.532988 0.412922 0.202976 C\n0.973203 0.268048 0.914756 C\n0.473203 0.731952 0.585244 C\n0.026797 0.731952 0.085244 C\n0.526797 0.268048 0.414756 C\n0.792727 0.262739 0.804257 C\n0.292727 0.737261 0.695743 C\n0.207273 0.737261 0.195743 C\n0.707273 0.262739 0.304257 C\n0.790880 0.404831 0.944950 C\n0.290880 0.595169 0.555050 C\n0.209120 0.595169 0.055050 C\n0.709120 0.404831 0.444950 C\n0.964969 0.806475 0.606959 C\n0.464969 0.193525 0.893041 C\n0.035031 0.193525 0.393041 C\n0.535031 0.806475 0.106959 C\n0.960898 0.953369 0.744052 C\n0.460898 0.046631 0.755948 C\n0.039102 0.046631 0.255948 C\n0.539102 0.953369 0.244052 C\n0.783156 0.948499 0.629669 C\n0.283156 0.051501 0.870331 C\n0.216844 0.051501 0.370331 C\n0.716844 0.948499 0.129669 C\n0.781552 0.805252 0.841925 C\n0.281552 0.194748 0.658075 C\n0.218448 0.194748 0.158075 C\n0.718448 0.805252 0.341925 C\n0.985836 0.611635 0.842075 Cl\n0.485836 0.388365 0.657925 Cl\n0.014164 0.388365 0.157925 Cl\n0.514164 0.611635 0.342075 Cl\n0.765765 0.605238 0.706907 Cl\n0.265765 0.394762 0.793093 Cl\n0.234235 0.394762 0.293093 Cl\n0.734235 0.605238 0.206907 Cl\n0.019036 0.415036 0.628276 O\n0.519036 0.584964 0.871724 O\n0.980964 0.584964 0.371724 O\n0.480964 0.415036 0.128276 O\n0.031515 0.179875 0.970914 O\n0.531515 0.820125 0.529086 O\n0.968485 0.820125 0.029086 O\n0.468485 0.179875 0.470914 O\n0.739047 0.170384 0.791511 O\n0.239047 0.829616 0.708489 O\n0.260953 0.829616 0.208489 O\n0.760953 0.170384 0.291511 O\n0.736252 0.400693 0.018532 O\n0.236252 0.599307 0.481468 O\n0.263748 0.599307 0.981468 O\n0.763748 0.400693 0.518532 O\n0.022107 0.806650 0.535722 O\n0.522107 0.193350 0.964278 O\n0.977893 0.193350 0.464278 O\n0.477893 0.806650 0.035722 O\n0.015340 0.044875 0.756987 O\n0.515340 0.955125 0.743013 O\n0.984660 0.955125 0.243013 O\n0.484660 0.044875 0.256987 O\n0.727510 0.037171 0.570180 O\n0.227510 0.962829 0.929820 O\n0.272490 0.962829 0.429820 O\n0.772490 0.037171 0.070180 O\n0.724714 0.803610 0.913471 O\n0.224714 0.196390 0.586529 O\n0.275286 0.196390 0.086529 O\n0.775286 0.803610 0.413471 O\n",
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"formula_full": "Mn8 C32 Cl8 O32",
"formula_reduced": "MnC4ClO4",
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"updated_at": "2021-11-28T01:35:19.877000Z",
"spacegroup": 14
},
{
"id": "mp-1180553",
"created_at": "2022-09-04T14:41:03.834329Z",
"structure_string": "Li4 C1 O4\n1.0\n-2.116384 2.132875 3.952570\n2.116384 -2.132875 3.952570\n2.116384 2.132875 -3.952570\nLi C O\n4 1 4\ndirect\n0.854656 0.450733 0.017205 Li\n0.566472 0.549267 0.403923 Li\n0.433528 0.837451 0.982795 Li\n0.145344 0.162549 0.596077 Li\n0.000000 0.000000 0.000000 C\n0.084448 0.702161 0.999511 O\n0.702650 0.084937 0.000489 O\n0.915552 0.915063 0.617713 O\n0.297350 0.297839 0.382287 O\n",
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"formula_full": "Li4 C1 O4",
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{
"id": "mp-554138",
"created_at": "2022-09-04T14:41:02.024250Z",
"structure_string": "Pr8 Sb4 O20 F4\n1.0\n6.692314 0.000000 0.000000\n0.000000 7.105350 0.000000\n0.000000 0.644733 10.216214\nPr Sb O F\n8 4 20 4\ndirect\n0.749490 0.372301 0.535007 Pr\n0.568975 0.122807 0.965444 Pr\n0.068975 0.877193 0.034556 Pr\n0.378595 0.130512 0.338627 Pr\n0.439030 0.627328 0.839166 Pr\n0.939030 0.372672 0.160834 Pr\n0.878595 0.869488 0.661373 Pr\n0.249490 0.627699 0.464993 Pr\n0.809575 0.887204 0.322571 Sb\n0.309575 0.112796 0.677429 Sb\n0.012842 0.390397 0.821578 Sb\n0.512842 0.609603 0.178422 Sb\n0.311603 0.300245 0.825021 O\n0.729299 0.048242 0.464392 O\n0.587133 0.055800 0.727581 O\n0.010254 0.199456 0.676394 O\n0.091147 0.552298 0.963891 O\n0.893705 0.690472 0.461447 O\n0.087133 0.944200 0.272419 O\n0.229299 0.951758 0.535608 O\n0.115841 0.584625 0.687991 O\n0.717062 0.082789 0.186407 O\n0.742180 0.465081 0.767017 O\n0.423923 0.806000 0.041610 O\n0.591147 0.447702 0.036109 O\n0.811603 0.699755 0.174979 O\n0.615841 0.415375 0.312009 O\n0.217062 0.917211 0.813593 O\n0.510254 0.800544 0.323606 O\n0.393705 0.309528 0.538553 O\n0.923923 0.194000 0.958390 O\n0.242180 0.534919 0.232983 O\n0.037927 0.324268 0.392170 F\n0.537927 0.675732 0.607830 F\n0.776921 0.831388 0.893079 F\n0.276921 0.168612 0.106921 F\n",
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{
"id": "mp-1023482",
"created_at": "2022-09-04T14:41:02.030477Z",
"structure_string": "Mg12 Al2 Cu2\n1.0\n4.890824 0.000000 0.000000\n0.000000 6.120511 0.000000\n0.000000 0.000000 10.571071\nMg Al Cu\n12 2 2\ndirect\n0.000000 0.258429 0.087539 Mg\n0.000000 0.741571 0.087539 Mg\n0.000000 0.500000 0.832583 Mg\n0.500000 0.246750 0.914118 Mg\n0.500000 0.753250 0.914118 Mg\n0.500000 0.500000 0.667122 Mg\n0.000000 0.758429 0.587539 Mg\n0.000000 0.241571 0.587539 Mg\n0.000000 0.000000 0.332583 Mg\n0.500000 0.746750 0.414118 Mg\n0.500000 0.253250 0.414118 Mg\n0.500000 0.000000 0.167122 Mg\n0.000000 0.500000 0.328520 Al\n0.000000 0.000000 0.828520 Al\n0.500000 0.500000 0.168460 Cu\n0.500000 0.000000 0.668460 Cu\n",
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],
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"formula_full": "Mg12 Al2 Cu2",
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}
]
}