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{
"id": "mp-1097796",
"created_at": "2022-09-04T14:41:10.079072Z",
"structure_string": "Cr24 N16\n1.0\n-4.573420 4.573420 4.573420\n4.573420 -4.573420 4.573420\n4.573420 4.573420 -4.573420\nCr N\n24 16\ndirect\n0.764981 0.221675 0.273210 Cr\n0.008229 0.456694 0.735019 Cr\n0.226790 0.448465 0.491771 Cr\n0.051535 0.278325 0.043306 Cr\n0.278325 0.043306 0.051535 Cr\n0.043306 0.051535 0.278325 Cr\n0.735019 0.008229 0.456694 Cr\n0.491771 0.226790 0.448465 Cr\n0.273210 0.764981 0.221675 Cr\n0.448465 0.491771 0.226790 Cr\n0.221675 0.273210 0.764981 Cr\n0.456694 0.735019 0.008229 Cr\n0.990764 0.546086 0.271764 Cr\n0.781000 0.555322 0.509236 Cr\n0.228236 0.774322 0.719000 Cr\n0.725678 0.953914 0.944678 Cr\n0.953914 0.944678 0.725678 Cr\n0.944678 0.725678 0.953914 Cr\n0.509236 0.781000 0.555322 Cr\n0.719000 0.228236 0.774322 Cr\n0.271764 0.990764 0.546086 Cr\n0.774322 0.719000 0.228236 Cr\n0.546086 0.271764 0.990764 Cr\n0.555322 0.509236 0.781000 Cr\n0.000000 0.496235 0.500000 N\n0.003765 0.003765 0.003765 N\n0.500000 0.000000 0.496235 N\n0.496235 0.500000 0.000000 N\n0.750000 0.955565 0.205565 N\n0.955565 0.205565 0.750000 N\n0.294435 0.250000 0.544435 N\n0.250000 0.544435 0.294435 N\n0.544435 0.294435 0.250000 N\n0.205565 0.750000 0.955565 N\n0.750000 0.455104 0.705104 N\n0.455104 0.705104 0.750000 N\n0.794896 0.250000 0.044896 N\n0.250000 0.044896 0.794896 N\n0.044896 0.794896 0.250000 N\n0.705104 0.750000 0.455104 N\n",
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},
{
"id": "mp-602511",
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"structure_string": "Cr24 H64 N16 O80\n1.0\n9.434164 0.000000 0.000000\n0.000000 11.398568 0.000000\n0.000000 0.000000 19.224087\nCr H N O\n24 64 16 80\ndirect\n0.002827 0.804933 0.476936 Cr\n0.798068 0.630155 0.113677 Cr\n0.997173 0.195067 0.523064 Cr\n0.991283 0.001695 0.267046 Cr\n0.991283 0.501695 0.232954 Cr\n0.491283 0.998305 0.232954 Cr\n0.002827 0.304933 0.023064 Cr\n0.502827 0.195067 0.023064 Cr\n0.502827 0.695067 0.476936 Cr\n0.701932 0.130155 0.886323 Cr\n0.497173 0.804933 0.976936 Cr\n0.701932 0.630155 0.613677 Cr\n0.508717 0.001695 0.767046 Cr\n0.008717 0.998305 0.732954 Cr\n0.201932 0.869845 0.613677 Cr\n0.008717 0.498305 0.767046 Cr\n0.201932 0.369845 0.886323 Cr\n0.298068 0.869845 0.113677 Cr\n0.997173 0.695067 0.976936 Cr\n0.491283 0.498305 0.267046 Cr\n0.497173 0.304933 0.523064 Cr\n0.508717 0.501695 0.732954 Cr\n0.798068 0.130155 0.386323 Cr\n0.298068 0.369845 0.386323 Cr\n0.287585 0.062006 0.458295 H\n0.699867 0.213940 0.692177 H\n0.854630 0.775017 0.782272 H\n0.208943 0.040648 0.871172 H\n0.212415 0.562006 0.541705 H\n0.761916 0.854537 0.329321 H\n0.403418 0.464058 0.076592 H\n0.596582 0.035942 0.576592 H\n0.291057 0.040648 0.371172 H\n0.712415 0.437994 0.958295 H\n0.300133 0.286060 0.192177 H\n0.596582 0.535942 0.923408 H\n0.738084 0.854537 0.829321 H\n0.073295 0.109059 0.911225 H\n0.926705 0.890941 0.088775 H\n0.708943 0.459352 0.871172 H\n0.426705 0.109059 0.411225 H\n0.787585 0.937994 0.041705 H\n0.800133 0.213940 0.192177 H\n0.073295 0.609059 0.588775 H\n0.926705 0.390941 0.411225 H\n0.761916 0.354537 0.170679 H\n0.645370 0.275017 0.217728 H\n0.287585 0.562006 0.041705 H\n0.238084 0.145463 0.670679 H\n0.800133 0.713940 0.307823 H\n0.828100 0.243340 0.633324 H\n0.096582 0.464058 0.576592 H\n0.096582 0.964058 0.923408 H\n0.671900 0.743340 0.366676 H\n0.261916 0.145463 0.170679 H\n0.212415 0.062006 0.958295 H\n0.328100 0.256660 0.633324 H\n0.903418 0.535942 0.423408 H\n0.354630 0.224983 0.717728 H\n0.787585 0.437994 0.458295 H\n0.171900 0.256660 0.133324 H\n0.671900 0.243340 0.133324 H\n0.261916 0.645463 0.329321 H\n0.645370 0.775017 0.282272 H\n0.328100 0.756660 0.866676 H\n0.903418 0.035942 0.076592 H\n0.199867 0.786060 0.807823 H\n0.208943 0.540648 0.628828 H\n0.854630 0.275017 0.717728 H\n0.199867 0.286060 0.692177 H\n0.291057 0.540648 0.128828 H\n0.573295 0.890941 0.588775 H\n0.300133 0.786060 0.307823 H\n0.145370 0.724983 0.282272 H\n0.791057 0.459352 0.371172 H\n0.238084 0.645463 0.829321 H\n0.708943 0.959352 0.628828 H\n0.573295 0.390941 0.911225 H\n0.354630 0.724983 0.782272 H\n0.171900 0.756660 0.366676 H\n0.145370 0.224983 0.217728 H\n0.426705 0.609059 0.088775 H\n0.712415 0.937994 0.541705 H\n0.828100 0.743340 0.866676 H\n0.791057 0.959352 0.128828 H\n0.738084 0.354537 0.670679 H\n0.699867 0.713940 0.807823 H\n0.403418 0.964058 0.423408 H\n0.147995 0.043749 0.916000 N\n0.720045 0.271798 0.178552 N\n0.779955 0.271798 0.678552 N\n0.647995 0.956251 0.584000 N\n0.647995 0.456251 0.916000 N\n0.779955 0.771798 0.821448 N\n0.279955 0.228202 0.678552 N\n0.147995 0.543749 0.584000 N\n0.279955 0.728202 0.821448 N\n0.220045 0.728202 0.321448 N\n0.720045 0.771798 0.321448 N\n0.220045 0.228202 0.178552 N\n0.352005 0.543749 0.084000 N\n0.852005 0.956251 0.084000 N\n0.852005 0.456251 0.416000 N\n0.352005 0.043749 0.416000 N\n0.474278 0.629113 0.235330 O\n0.673784 0.582441 0.064470 O\n0.766356 0.724404 0.666417 O\n0.025722 0.129113 0.764670 O\n0.600402 0.606303 0.431677 O\n0.866569 0.511513 0.160459 O\n0.012105 0.174621 0.057936 O\n0.100402 0.893697 0.431677 O\n0.953103 0.100933 0.208560 O\n0.929317 0.200973 0.434323 O\n0.673784 0.082441 0.435530 O\n0.326216 0.417559 0.935530 O\n0.733644 0.724404 0.166417 O\n0.974278 0.870887 0.235330 O\n0.133431 0.488487 0.839541 O\n0.429317 0.299027 0.434323 O\n0.399598 0.393697 0.568323 O\n0.173784 0.417559 0.435530 O\n0.546897 0.600933 0.791440 O\n0.525722 0.370887 0.764670 O\n0.974278 0.370887 0.264670 O\n0.652313 0.978775 0.205540 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O\n0.847687 0.478775 0.794460 O\n0.826216 0.082441 0.935530 O\n0.826216 0.582441 0.564470 O\n0.839606 0.849862 0.478623 O\n0.070683 0.799027 0.565677 O\n0.474278 0.129113 0.264670 O\n0.847687 0.978775 0.705540 O\n0.399598 0.893697 0.931677 O\n0.512105 0.825379 0.442064 O\n0.929317 0.700973 0.065677 O\n0.600402 0.106303 0.068323 O\n0.046897 0.399067 0.708560 O\n0.512105 0.325379 0.057936 O\n0.633431 0.011513 0.839541 O\n0.953103 0.600933 0.291440 O\n0.429317 0.799027 0.065677 O\n0.633431 0.511513 0.660459 O\n0.347687 0.521225 0.705540 O\n0.866569 0.011513 0.339541 O\n0.347687 0.021225 0.794460 O\n0.487895 0.674621 0.942064 O\n0.987895 0.325379 0.557936 O\n0.233644 0.775596 0.166417 O\n0.339606 0.150138 0.021377 O\n0.339606 0.650138 0.478623 O\n",
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"formula_full": "Cr24 H64 N16 O80",
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{
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"formula_full": "Cr24 Fe8 O48",
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},
{
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"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2414195,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.962000Z",
"spacegroup": 1
}
]
}