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{
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{
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{
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"volume": 197.82256020772752,
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{
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"structure_string": "Li16 Cr8 P8 O32 F8\n1.0\n5.200173 0.000000 0.000000\n0.000000 11.444027 0.000000\n0.000000 0.000000 13.267729\nLi Cr P O F\n16 8 8 32 8\ndirect\n0.219649 0.180992 0.240396 Li\n0.219649 0.680992 0.759604 Li\n0.231811 0.401858 0.635868 Li\n0.231811 0.901858 0.364132 Li\n0.268189 0.401858 0.135868 Li\n0.268189 0.901858 0.864132 Li\n0.280351 0.680992 0.259604 Li\n0.280351 0.180992 0.740396 Li\n0.719649 0.819008 0.259604 Li\n0.719649 0.319008 0.740396 Li\n0.731811 0.098142 0.135868 Li\n0.731811 0.598142 0.864132 Li\n0.768189 0.598142 0.364132 Li\n0.768189 0.098142 0.635868 Li\n0.780351 0.819008 0.759604 Li\n0.780351 0.319008 0.240396 Li\n0.233623 0.670872 0.488231 Cr\n0.233623 0.170872 0.511769 Cr\n0.266377 0.170872 0.011769 Cr\n0.266377 0.670872 0.988231 Cr\n0.733623 0.829128 0.988231 Cr\n0.733623 0.329128 0.011769 Cr\n0.766377 0.329128 0.511769 Cr\n0.766377 0.829128 0.488231 Cr\n0.199049 0.912744 0.126314 P\n0.199049 0.412744 0.873686 P\n0.300951 0.412744 0.373686 P\n0.300951 0.912744 0.626314 P\n0.699049 0.087256 0.373686 P\n0.699049 0.587256 0.626314 P\n0.800951 0.587256 0.126314 P\n0.800951 0.087256 0.873686 P\n0.102601 0.592057 0.125094 O\n0.102601 0.092057 0.874906 O\n0.201064 0.345565 0.469653 O\n0.201064 0.845565 0.530347 O\n0.186255 0.358736 0.278510 O\n0.186255 0.858736 0.721490 O\n0.209443 0.041702 0.616889 O\n0.209443 0.541702 0.383111 O\n0.290557 0.041702 0.116889 O\n0.290557 0.541702 0.883111 O\n0.313745 0.858736 0.221490 O\n0.313745 0.358736 0.778510 O\n0.298936 0.345565 0.969653 O\n0.298936 0.845565 0.030347 O\n0.397399 0.092057 0.374906 O\n0.397399 0.592057 0.625094 O\n0.602601 0.907943 0.625094 O\n0.602601 0.407943 0.374906 O\n0.701064 0.654435 0.030347 O\n0.701064 0.154435 0.969653 O\n0.686255 0.641264 0.221490 O\n0.686255 0.141264 0.778510 O\n0.709443 0.458298 0.116889 O\n0.709443 0.958298 0.883111 O\n0.790557 0.958298 0.383111 O\n0.790557 0.458298 0.616889 O\n0.813745 0.141264 0.278510 O\n0.813745 0.641264 0.721490 O\n0.798936 0.154435 0.469653 O\n0.798936 0.654435 0.530347 O\n0.897399 0.907943 0.125094 O\n0.897399 0.407943 0.874906 O\n0.000000 0.250000 0.119714 F\n0.000000 0.250000 0.640497 F\n0.000000 0.750000 0.359503 F\n0.000000 0.750000 0.880286 F\n0.500000 0.250000 0.140497 F\n0.500000 0.250000 0.619714 F\n0.500000 0.750000 0.380286 F\n0.500000 0.750000 0.859503 F\n",
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"formula_reduced": "Li2CrPO4F",
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{
"id": "mp-1235737",
"created_at": "2022-09-04T14:48:09.722893Z",
"structure_string": "Li1 Zn1 Co4 O8\n1.0\n2.845598 -0.003090 0.584847\n1.304727 7.286417 0.879131\n-0.031255 0.636006 7.370748\nLi Zn Co O\n1 1 4 8\ndirect\n0.499374 0.487147 0.523728 Li\n0.326295 0.149199 0.196742 Zn\n0.635845 0.158764 0.568591 Co\n0.137692 0.529650 0.192128 Co\n0.836144 0.478549 0.843948 Co\n0.341586 0.820617 0.493090 Co\n0.864637 0.652775 0.614484 O\n0.443899 0.339367 0.766494 O\n0.526385 0.653552 0.290538 O\n0.126915 0.312361 0.433938 O\n0.169269 0.003181 0.657330 O\n0.784815 0.336818 0.090600 O\n0.836006 0.987391 0.340121 O\n0.225675 0.610305 0.933416 O\n",
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{
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"structure_string": "Cu3 Mo2 H2 O10\n1.0\n5.402739 0.000000 0.000000\n-0.725422 5.639874 0.000000\n-2.161765 -2.059725 7.000315\nCu Mo H O\n3 2 2 10\ndirect\n0.228816 0.086206 0.192892 Cu\n0.771184 0.913794 0.807108 Cu\n0.000000 0.500000 0.000000 Cu\n0.685545 0.720831 0.308097 Mo\n0.314455 0.279169 0.691903 Mo\n0.770830 0.173345 0.132339 H\n0.229170 0.826655 0.867661 H\n0.892837 0.179284 0.058032 O\n0.436817 0.454121 0.167487 O\n0.978937 0.703444 0.236870 O\n0.572135 0.998081 0.268884 O\n0.230822 0.265791 0.444550 O\n0.769178 0.734209 0.555450 O\n0.427865 0.001919 0.731116 O\n0.021063 0.296556 0.763130 O\n0.563183 0.545879 0.832513 O\n0.107163 0.820716 0.941968 O\n",
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{
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{
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{
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