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{
"id": "mp-1030977",
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{
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{
"id": "mp-774848",
"created_at": "2022-09-04T14:40:30.206781Z",
"structure_string": "H40 Se4 O32\n1.0\n6.265855 0.000000 0.000000\n0.000000 9.297973 0.000000\n0.000000 0.000000 12.786575\nH Se O\n40 4 32\ndirect\n0.012441 0.201285 0.107041 H\n0.012441 0.201285 0.392959 H\n0.057561 0.367863 0.144197 H\n0.057561 0.367863 0.355803 H\n0.064022 0.332300 0.009239 H\n0.064022 0.332300 0.490761 H\n0.121992 0.293029 0.642694 H\n0.121992 0.293029 0.857306 H\n0.235018 0.923709 0.099532 H\n0.235018 0.923709 0.400468 H\n0.264982 0.423709 0.599532 H\n0.264982 0.423709 0.900468 H\n0.378008 0.793029 0.142694 H\n0.378008 0.793029 0.357306 H\n0.435978 0.832300 0.509239 H\n0.435978 0.832300 0.990761 H\n0.442439 0.867863 0.644197 H\n0.442439 0.867863 0.855803 H\n0.487559 0.701285 0.607041 H\n0.487559 0.701285 0.892959 H\n0.512441 0.298715 0.107041 H\n0.512441 0.298715 0.392959 H\n0.557561 0.132137 0.144197 H\n0.557561 0.132137 0.355803 H\n0.564022 0.167700 0.009239 H\n0.564022 0.167700 0.490761 H\n0.621992 0.206971 0.642694 H\n0.621992 0.206971 0.857306 H\n0.735018 0.576291 0.099532 H\n0.735018 0.576291 0.400468 H\n0.764982 0.076291 0.599532 H\n0.764982 0.076291 0.900468 H\n0.878008 0.706971 0.142694 H\n0.878008 0.706971 0.357306 H\n0.935978 0.667700 0.509239 H\n0.935978 0.667700 0.990761 H\n0.942439 0.632137 0.644197 H\n0.942439 0.632137 0.855803 H\n0.987559 0.798715 0.607041 H\n0.987559 0.798715 0.892959 H\n0.106557 0.014625 0.750000 Se\n0.393443 0.514625 0.250000 Se\n0.606557 0.485375 0.750000 Se\n0.893443 0.985375 0.250000 Se\n0.007829 0.693496 0.586663 O\n0.007829 0.693496 0.913337 O\n0.021079 0.035935 0.140223 O\n0.021079 0.035935 0.359777 O\n0.122531 0.192769 0.750000 O\n0.133871 0.366548 0.585789 O\n0.133871 0.366548 0.914211 O\n0.151382 0.435683 0.250000 O\n0.348618 0.935683 0.750000 O\n0.366129 0.866548 0.085789 O\n0.366129 0.866548 0.414211 O\n0.377469 0.692769 0.250000 O\n0.478921 0.535935 0.640223 O\n0.478921 0.535935 0.859777 O\n0.492171 0.193496 0.086663 O\n0.492171 0.193496 0.413337 O\n0.507829 0.806504 0.586663 O\n0.507829 0.806504 0.913337 O\n0.521079 0.464065 0.140223 O\n0.521079 0.464065 0.359777 O\n0.622531 0.307231 0.750000 O\n0.633871 0.133452 0.585789 O\n0.633871 0.133452 0.914211 O\n0.651382 0.064317 0.250000 O\n0.848618 0.564317 0.750000 O\n0.866129 0.633452 0.085789 O\n0.866129 0.633452 0.414211 O\n0.877469 0.807231 0.250000 O\n0.978921 0.964065 0.640223 O\n0.978921 0.964065 0.859777 O\n0.992171 0.306504 0.086663 O\n0.992171 0.306504 0.413337 O\n",
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"formula_full": "H40 Se4 O32",
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{
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"structure_string": "Cs2 Rb1 Gd1 Cl6\n1.0\n0.000000 5.812840 5.812840\n5.812840 0.000000 5.812840\n5.812840 5.812840 0.000000\nCs Rb Gd Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Gd\n0.770167 0.229833 0.229833 Cl\n0.229833 0.229833 0.770167 Cl\n0.229833 0.770167 0.770167 Cl\n0.229833 0.770167 0.229833 Cl\n0.770167 0.229833 0.770167 Cl\n0.770167 0.770167 0.229833 Cl\n",
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{
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"structure_string": "Cd1 Bi12 Cl14 O12\n1.0\n2.757335 -26.340968 0.000000\n2.757335 26.340968 0.000000\n0.000000 0.000000 5.514359\nCd Bi Cl O\n1 12 14 12\ndirect\n0.000000 0.000000 0.500000 Cd\n0.774264 0.225736 0.000000 Bi\n0.274273 0.725727 0.500000 Bi\n0.725727 0.274273 0.500000 Bi\n0.225736 0.774264 0.000000 Bi\n0.920589 0.079411 0.000000 Bi\n0.420589 0.579411 0.500000 Bi\n0.579411 0.420589 0.500000 Bi\n0.079411 0.920589 0.000000 Bi\n0.627779 0.372221 0.000000 Bi\n0.128432 0.871568 0.500000 Bi\n0.871568 0.128432 0.500000 Bi\n0.372221 0.627779 0.000000 Bi\n0.699500 0.300500 0.000000 Cl\n0.199480 0.800520 0.500000 Cl\n0.800520 0.199480 0.500000 Cl\n0.300500 0.699500 0.000000 Cl\n0.555165 0.444835 0.000000 Cl\n0.052011 0.947989 0.500000 Cl\n0.947989 0.052011 0.500000 Cl\n0.444835 0.555165 0.000000 Cl\n0.845962 0.154038 0.000000 Cl\n0.345963 0.654037 0.500000 Cl\n0.654037 0.345963 0.500000 Cl\n0.154038 0.845962 0.000000 Cl\n0.500000 0.500000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.648020 0.855677 0.748158 O\n0.144323 0.351980 0.251842 O\n0.144323 0.351980 0.748158 O\n0.648020 0.855677 0.251842 O\n0.855677 0.648020 0.748158 O\n0.351980 0.144323 0.251842 O\n0.351980 0.144323 0.748158 O\n0.855677 0.648020 0.251842 O\n0.500000 0.000000 0.749970 O\n0.000000 0.500000 0.250030 O\n0.000000 0.500000 0.749970 O\n0.500000 0.000000 0.250030 O\n",
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"spacegroup": 65
},
{
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"created_at": "2022-09-04T14:40:29.534344Z",
"structure_string": "Li4 Mn3 Fe1 B4 O12\n1.0\n-5.178703 0.000000 0.000000\n2.373803 5.569608 0.000000\n-0.088941 -2.305159 -8.864527\nLi Mn Fe B O\n4 3 1 4 12\ndirect\n0.252601 0.672540 0.184363 Li\n0.749511 0.669193 0.683288 Li\n0.249472 0.329709 0.316320 Li\n0.746747 0.327287 0.814042 Li\n0.788567 0.768070 0.375290 Mn\n0.287952 0.766324 0.872390 Mn\n0.713332 0.234234 0.126652 Mn\n0.207338 0.234171 0.628673 Fe\n0.771364 0.737008 0.036533 B\n0.271932 0.739604 0.536909 B\n0.728271 0.262899 0.465406 B\n0.229963 0.260508 0.961833 B\n0.557669 0.825472 0.064949 O\n0.059825 0.829721 0.566680 O\n0.360047 0.703704 0.393294 O\n0.881996 0.676147 0.151824 O\n0.381911 0.675172 0.650602 O\n0.140378 0.298257 0.104536 O\n0.860600 0.701523 0.893319 O\n0.619997 0.323462 0.348970 O\n0.118325 0.318770 0.844889 O\n0.631259 0.294140 0.606252 O\n0.946802 0.178738 0.438791 O\n0.444142 0.173348 0.934194 O\n",
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"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.141145176204266,
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"volume": 255.6826163594323,
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"formula_full": "Li4 Mn3 Fe1 B4 O12",
"formula_reduced": "Li4Mn3Fe(BO3)4",
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{
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"created_at": "2022-09-04T14:40:24.466863Z",
"structure_string": "Sr4 Si8 O20\n1.0\n2.646978 -4.691486 0.000000\n2.646978 4.691486 0.000000\n0.000000 0.000000 13.669367\nSr Si O\n4 8 20\ndirect\n0.660740 0.339260 0.916087 Sr\n0.160740 0.839260 0.583913 Sr\n0.339260 0.660740 0.083913 Sr\n0.839260 0.160740 0.416087 Sr\n0.494250 0.505750 0.638549 Si\n0.005750 0.994250 0.138549 Si\n0.173844 0.826156 0.316397 Si\n0.994250 0.005750 0.861451 Si\n0.826156 0.173844 0.683603 Si\n0.505750 0.494250 0.361451 Si\n0.326156 0.673844 0.816397 Si\n0.673844 0.326156 0.183603 Si\n0.834987 0.165013 0.102625 O\n0.844401 0.664695 0.406174 O\n0.164695 0.344401 0.906174 O\n0.165013 0.834987 0.897375 O\n0.334987 0.665013 0.397375 O\n0.665013 0.334987 0.602625 O\n0.488235 0.511765 0.756927 O\n0.664695 0.844401 0.593826 O\n0.011765 0.988235 0.256927 O\n0.335305 0.155599 0.406174 O\n0.344401 0.164695 0.093826 O\n0.003462 0.496538 0.750000 O\n0.155599 0.335305 0.593826 O\n0.655599 0.835305 0.906174 O\n0.835305 0.655599 0.093826 O\n0.988235 0.011765 0.743073 O\n0.996538 0.503462 0.250000 O\n0.496538 0.003462 0.250000 O\n0.511765 0.488235 0.243073 O\n0.503462 0.996538 0.750000 O\n",
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],
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"density": 4.378312218316385,
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"volume": 339.4995131518304,
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"formula_full": "Sr4 Si8 O20",
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{
"id": "mp-1110798",
"created_at": "2022-09-04T14:40:31.698347Z",
"structure_string": "Na3 Ga1 Br6\n1.0\n0.000000 5.405612 5.405612\n5.405612 0.000000 5.405612\n5.405612 5.405612 0.000000\nNa Ga Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ga\n0.763976 0.236024 0.236024 Br\n0.236024 0.236024 0.763976 Br\n0.236024 0.763976 0.763976 Br\n0.236024 0.763976 0.236024 Br\n0.763976 0.236024 0.763976 Br\n0.763976 0.763976 0.236024 Br\n",
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],
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"volume": 315.9108962967203,
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"formula_full": "Na3 Ga1 Br6",
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]
}