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{
"id": "mp-1200575",
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"structure_string": "Sc16 B48 Rh68\n1.0\n10.803144 0.000000 0.000000\n0.000000 9.233986 0.000000\n0.000000 3.070890 15.905123\nSc B Rh\n16 48 68\ndirect\n0.626080 0.995675 0.756472 Sc\n0.126080 0.004325 0.743528 Sc\n0.373920 0.004325 0.243528 Sc\n0.873920 0.995675 0.256472 Sc\n0.876189 0.747347 0.999171 Sc\n0.376189 0.252653 0.500829 Sc\n0.123811 0.252653 0.000829 Sc\n0.623811 0.747347 0.499171 Sc\n0.877771 0.472254 0.750388 Sc\n0.377771 0.527746 0.749612 Sc\n0.122229 0.527746 0.249612 Sc\n0.622229 0.472254 0.250388 Sc\n0.861321 0.229391 0.513737 Sc\n0.361321 0.770609 0.986263 Sc\n0.138679 0.770609 0.486263 Sc\n0.638679 0.229391 0.013737 Sc\n0.547472 0.996573 0.596684 B\n0.047472 0.003427 0.903316 B\n0.452528 0.003427 0.403316 B\n0.952528 0.996573 0.096684 B\n0.225711 0.994594 0.590887 B\n0.725711 0.005406 0.909113 B\n0.774289 0.005406 0.409113 B\n0.274289 0.994594 0.090887 B\n0.877226 0.951618 0.703984 B\n0.377226 0.048382 0.796016 B\n0.122774 0.048382 0.296016 B\n0.622774 0.951618 0.203984 B\n0.865765 0.923047 0.504727 B\n0.365765 0.076953 0.995273 B\n0.134235 0.076953 0.495273 B\n0.634235 0.923047 0.004727 B\n0.552180 0.711588 0.800104 B\n0.052180 0.288412 0.699896 B\n0.447820 0.288412 0.199896 B\n0.947820 0.711588 0.300104 B\n0.885192 0.690913 0.852198 B\n0.385192 0.309087 0.647802 B\n0.114808 0.309087 0.147802 B\n0.614808 0.690913 0.352198 B\n0.059852 0.659508 0.639069 B\n0.559852 0.340492 0.860931 B\n0.940148 0.340492 0.360931 B\n0.440148 0.659508 0.139069 B\n0.702674 0.657950 0.649008 B\n0.202674 0.342050 0.850992 B\n0.297326 0.342050 0.350992 B\n0.797326 0.657950 0.149008 B\n0.870867 0.572070 0.501990 B\n0.370867 0.427930 0.998010 B\n0.129133 0.427930 0.498010 B\n0.629133 0.572070 0.001990 B\n0.622159 0.396445 0.504822 B\n0.122159 0.603555 0.995178 B\n0.377841 0.603555 0.495178 B\n0.877841 0.396445 0.004822 B\n0.881312 0.313873 0.906562 B\n0.381312 0.686127 0.593438 B\n0.118688 0.686127 0.093438 B\n0.618688 0.313873 0.406562 B\n0.702651 0.285362 0.708140 B\n0.202651 0.714638 0.791860 B\n0.297349 0.714638 0.291860 B\n0.797349 0.285362 0.208140 B\n0.012859 0.957590 0.588950 Rh\n0.512859 0.042410 0.911050 Rh\n0.987141 0.042410 0.411050 Rh\n0.487141 0.957590 0.088950 Rh\n0.745596 0.956124 0.604154 Rh\n0.245596 0.043876 0.895846 Rh\n0.254404 0.043876 0.395846 Rh\n0.754404 0.956124 0.104154 Rh\n0.879929 0.931966 0.839893 Rh\n0.379929 0.068034 0.660107 Rh\n0.120071 0.068034 0.160107 Rh\n0.620071 0.931966 0.339893 Rh\n0.109069 0.913374 0.034743 Rh\n0.609069 0.086626 0.465257 Rh\n0.890931 0.086626 0.965257 Rh\n0.390931 0.913374 0.534743 Rh\n0.104155 0.783959 0.893849 Rh\n0.604155 0.216041 0.606151 Rh\n0.895845 0.216041 0.106151 Rh\n0.395845 0.783959 0.393849 Rh\n0.647067 0.781285 0.911173 Rh\n0.147067 0.218715 0.588827 Rh\n0.352933 0.218715 0.088827 Rh\n0.852933 0.781285 0.411173 Rh\n0.227666 0.768099 0.655994 Rh\n0.727666 0.231901 0.844006 Rh\n0.772334 0.231901 0.344006 Rh\n0.272334 0.768099 0.155994 Rh\n0.531098 0.763722 0.662533 Rh\n0.031098 0.236278 0.837467 Rh\n0.468902 0.236278 0.337467 Rh\n0.968902 0.763722 0.162533 Rh\n0.000865 0.756622 0.742335 Rh\n0.500865 0.243378 0.757665 Rh\n0.999135 0.243378 0.257665 Rh\n0.499135 0.756622 0.242335 Rh\n0.749882 0.747105 0.756718 Rh\n0.249882 0.252895 0.743282 Rh\n0.250118 0.252895 0.243282 Rh\n0.750118 0.747105 0.256718 Rh\n0.877012 0.715757 0.590084 Rh\n0.377012 0.284243 0.909916 Rh\n0.122988 0.284243 0.409916 Rh\n0.622988 0.715757 0.090084 Rh\n0.508027 0.534064 0.906274 Rh\n0.008027 0.465936 0.593726 Rh\n0.491973 0.465936 0.093726 Rh\n0.991973 0.534064 0.406274 Rh\n0.754334 0.510549 0.909445 Rh\n0.254334 0.489451 0.590555 Rh\n0.245666 0.489451 0.090555 Rh\n0.745666 0.510549 0.409445 Rh\n0.627365 0.496011 0.750878 Rh\n0.127365 0.503989 0.749122 Rh\n0.372635 0.503989 0.249122 Rh\n0.872635 0.496011 0.250878 Rh\n0.500541 0.490845 0.592391 Rh\n0.000541 0.509155 0.907609 Rh\n0.499459 0.509155 0.407609 Rh\n0.999459 0.490845 0.092391 Rh\n0.744707 0.463300 0.596505 Rh\n0.244707 0.536700 0.903495 Rh\n0.255293 0.536700 0.403495 Rh\n0.755293 0.463300 0.096505 Rh\n0.877935 0.184903 0.683816 Rh\n0.377935 0.815097 0.816184 Rh\n0.122065 0.815097 0.316184 Rh\n0.622065 0.184903 0.183816 Rh\n",
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"elements": [
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],
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"volume": 1586.6327295867009,
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"formula_full": "Sc16 B48 Rh68",
"formula_reduced": "Sc4B12Rh17",
"formula_anonymous": "A4B12C17",
"energy": -1004.49082706,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:05.839000Z",
"spacegroup": 14
},
{
"id": "mp-705959",
"created_at": "2022-09-04T14:43:34.393807Z",
"structure_string": "V8 Sn16 H85 C32 O36\n1.0\n-12.867402 0.000000 0.000000\n-0.028810 -13.405023 0.000000\n-0.032856 -0.003789 13.643733\nV Sn H C O\n8 16 85 32 36\ndirect\n0.476473 0.748661 0.630130 V\n0.976238 0.248483 0.869808 V\n0.976207 0.751567 0.869757 V\n0.476729 0.251539 0.630277 V\n0.523164 0.748384 0.369239 V\n0.023211 0.248307 0.130938 V\n0.023471 0.751812 0.130423 V\n0.524301 0.253476 0.369494 V\n0.208102 0.746377 0.730589 Sn\n0.877762 0.999909 0.801501 Sn\n0.708154 0.246335 0.769445 Sn\n0.708137 0.753735 0.769430 Sn\n0.629896 0.000135 0.714419 Sn\n0.377981 0.500098 0.698282 Sn\n0.208380 0.254034 0.730029 Sn\n0.129638 0.500248 0.785681 Sn\n0.791511 0.746373 0.269805 Sn\n0.366274 0.996460 0.284370 Sn\n0.291837 0.244908 0.230006 Sn\n0.291414 0.752307 0.229483 Sn\n0.118470 0.000393 0.195963 Sn\n0.868979 0.499767 0.220229 Sn\n0.791900 0.253687 0.269909 Sn\n0.617633 0.499957 0.303395 Sn\n0.487304 0.433593 0.854378 H\n0.384305 0.566357 0.510926 H\n0.306109 0.887515 0.837186 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"elements": [
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"density": 2.3657914635758184,
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"formula_reduced": "V8Sn16H85(C8O9)4",
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"updated_at": "2021-11-28T01:36:19.423000Z",
"spacegroup": 1
},
{
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"updated_at": "2021-11-28T01:35:50.685000Z",
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{
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{
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{
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{
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"elements": [
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"formula_full": "Al8 P12 H68 C16 N8 O48",
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"updated_at": "2021-11-28T01:35:23Z",
"spacegroup": 15
},
{
"id": "mp-558968",
"created_at": "2022-09-04T14:41:50.062482Z",
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],
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"formula_full": "Mn8 P8 C48 S4 O32 F48",
"formula_reduced": "Mn2P2C12S(O2F3)4",
"formula_anonymous": "AB2C2D8E12F12",
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"updated_at": "2021-11-28T01:35:28.067000Z",
"spacegroup": 33
}
]
}