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{
"id": "mp-14012",
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{
"id": "mp-1232228",
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"volume": 1227.758177873465,
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"formula_full": "Yb16 Mg8 S32",
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},
{
"id": "mp-1247678",
"created_at": "2022-09-04T14:44:10.854382Z",
"structure_string": "Sr1 Ca7 Mn6 Cr2 O24\n1.0\n7.645433 0.000000 0.000000\n0.000000 7.613219 0.002602\n0.000000 0.002602 7.613219\nSr Ca Mn Cr O\n1 7 6 2 24\ndirect\n0.250000 0.250780 0.250780 Sr\n0.250000 0.250654 0.748834 Ca\n0.250000 0.748834 0.250654 Ca\n0.250000 0.749170 0.749170 Ca\n0.750000 0.250817 0.250817 Ca\n0.750000 0.251236 0.749367 Ca\n0.750000 0.749367 0.251236 Ca\n0.750000 0.748912 0.748912 Ca\n0.999633 0.999650 0.500285 Mn\n0.999633 0.500285 0.999650 Mn\n0.999640 0.500357 0.500357 Mn\n0.500367 0.999650 0.500285 Mn\n0.500367 0.500285 0.999650 Mn\n0.500360 0.500357 0.500357 Mn\n0.999642 0.999553 0.999553 Cr\n0.500358 0.999553 0.999553 Cr\n0.997284 0.998564 0.250111 O\n0.000509 0.999245 0.749958 O\n0.997797 0.502097 0.249926 O\n0.999983 0.500163 0.750058 O\n0.502716 0.998564 0.250111 O\n0.499491 0.999245 0.749958 O\n0.502203 0.502097 0.249926 O\n0.500017 0.500163 0.750058 O\n0.250000 0.997503 0.997503 O\n0.250000 0.997718 0.502229 O\n0.250000 0.502229 0.997718 O\n0.250000 0.502150 0.502150 O\n0.750000 0.000492 0.000492 O\n0.750000 0.000066 0.500040 O\n0.750000 0.500040 0.000066 O\n0.750000 0.500096 0.500096 O\n0.997284 0.250111 0.998564 O\n0.997797 0.249926 0.502097 O\n0.000509 0.749958 0.999245 O\n0.999983 0.750058 0.500163 O\n0.502716 0.250111 0.998564 O\n0.502203 0.249926 0.502097 O\n0.499491 0.749958 0.999245 O\n0.500017 0.750058 0.500163 O\n",
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"density": 4.44336134437806,
"density_atomic": 0.09026539973279922,
"volume": 443.1376819734553,
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"formula_full": "Sr1 Ca7 Mn6 Cr2 O24",
"formula_reduced": "SrCa7Mn6Cr2O24",
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"spacegroup": 38
},
{
"id": "mp-1226809",
"created_at": "2022-09-04T14:44:11.699030Z",
"structure_string": "Cd2 H2 O2 F2\n1.0\n0.000000 -0.002398 3.534358\n4.844687 0.000000 0.000000\n0.000000 5.627958 -0.004345\nCd H O F\n2 2 2 2\ndirect\n0.747756 0.754532 0.983369 Cd\n0.252244 0.254532 0.516631 Cd\n0.749699 0.684167 0.522404 H\n0.250301 0.184167 0.977596 H\n0.248159 0.021553 0.869692 O\n0.751841 0.521553 0.630308 O\n0.248874 0.479748 0.144198 F\n0.751126 0.979748 0.355802 F\n",
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],
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"formula_full": "Cd2 H2 O2 F2",
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{
"id": "mp-1104805",
"created_at": "2022-09-04T14:44:10.732249Z",
"structure_string": "Dy10 Ir4\n1.0\n0.000000 6.476878 0.000000\n0.895722 0.000000 -7.136073\n-7.960994 -3.238439 0.000000\nDy Ir\n10 4\ndirect\n0.791914 0.083748 0.813980 Dy\n0.977934 0.416252 0.186020 Dy\n0.208086 0.916252 0.186020 Dy\n0.022066 0.583748 0.813980 Dy\n0.209685 0.184261 0.560930 Dy\n0.648755 0.315739 0.439070 Dy\n0.790315 0.815739 0.439070 Dy\n0.351245 0.684261 0.560930 Dy\n0.429882 0.250000 0.000000 Dy\n0.570118 0.750000 0.000000 Dy\n0.600491 0.425278 0.777448 Ir\n0.823043 0.074722 0.222552 Ir\n0.399509 0.574722 0.222552 Ir\n0.176957 0.925278 0.777448 Ir\n",
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{
"id": "mp-1218308",
"created_at": "2022-09-04T14:44:11.718329Z",
"structure_string": "Ta16 Se64 Br8\n1.0\n14.564568 0.000000 0.000000\n0.000000 13.000173 0.000000\n0.000000 9.722225 13.249891\nTa Se Br\n16 64 8\ndirect\n0.882667 0.219660 0.804056 Ta\n0.382667 0.780340 0.695944 Ta\n0.117333 0.780340 0.195944 Ta\n0.617333 0.219660 0.304056 Ta\n0.857856 0.009833 0.725885 Ta\n0.357856 0.990167 0.774115 Ta\n0.142144 0.990167 0.274115 Ta\n0.642144 0.009833 0.225885 Ta\n0.888910 0.489306 0.770784 Ta\n0.388910 0.510694 0.729216 Ta\n0.111090 0.510694 0.229216 Ta\n0.611090 0.489306 0.270784 Ta\n0.879121 0.747667 0.745939 Ta\n0.379121 0.252333 0.754061 Ta\n0.120879 0.252333 0.254061 Ta\n0.620879 0.747667 0.245939 Ta\n0.930651 0.712074 0.603899 Se\n0.430651 0.287926 0.896101 Se\n0.069349 0.287926 0.396101 Se\n0.569349 0.712074 0.103899 Se\n0.863248 0.780823 0.894835 Se\n0.363248 0.219177 0.605165 Se\n0.136752 0.219177 0.105165 Se\n0.636752 0.780823 0.394835 Se\n0.004972 0.926144 0.678348 Se\n0.504972 0.073856 0.821652 Se\n0.995028 0.073856 0.321652 Se\n0.495028 0.926144 0.178348 Se\n0.320105 0.989779 0.521428 Se\n0.820105 0.010221 0.978572 Se\n0.679895 0.010221 0.478572 Se\n0.179895 0.989779 0.021428 Se\n0.742791 0.345575 0.821352 Se\n0.242791 0.654425 0.678648 Se\n0.257209 0.654425 0.178648 Se\n0.757209 0.345575 0.321352 Se\n0.966483 0.259379 0.920452 Se\n0.466483 0.740621 0.579548 Se\n0.033517 0.740621 0.079548 Se\n0.533517 0.259379 0.420452 Se\n0.774025 0.687726 0.652195 Se\n0.274025 0.312274 0.847805 Se\n0.225975 0.312274 0.347805 Se\n0.725975 0.687726 0.152195 Se\n0.800855 0.423759 0.657996 Se\n0.300855 0.576241 0.842004 Se\n0.199145 0.576241 0.342004 Se\n0.699145 0.423759 0.157996 Se\n0.867406 0.993671 0.574491 Se\n0.367406 0.006329 0.925509 Se\n0.132594 0.006329 0.425509 Se\n0.632594 0.993671 0.074491 Se\n0.842906 0.508729 0.913600 Se\n0.342906 0.491271 0.586400 Se\n0.157094 0.491271 0.086400 Se\n0.657094 0.508729 0.413600 Se\n0.951252 0.228539 0.646409 Se\n0.451252 0.771461 0.853591 Se\n0.048748 0.771461 0.353591 Se\n0.548748 0.228539 0.146409 Se\n0.000135 0.567791 0.856297 Se\n0.500135 0.432209 0.643703 Se\n0.999865 0.432209 0.143703 Se\n0.499865 0.567791 0.356297 Se\n0.034324 0.378182 0.755219 Se\n0.534324 0.621818 0.744781 Se\n0.965676 0.621818 0.244781 Se\n0.465676 0.378182 0.255219 Se\n0.996647 0.052959 0.814050 Se\n0.496647 0.947041 0.685950 Se\n0.003353 0.947041 0.185950 Se\n0.503353 0.052959 0.314050 Se\n0.732209 0.817389 0.796853 Se\n0.232209 0.182611 0.703147 Se\n0.267791 0.182611 0.203147 Se\n0.767791 0.817389 0.296853 Se\n0.748458 0.069013 0.825386 Se\n0.248458 0.930987 0.674614 Se\n0.251542 0.930987 0.174614 Se\n0.751542 0.069013 0.325386 Se\n0.218411 0.838431 0.885790 Br\n0.718411 0.161569 0.614210 Br\n0.781589 0.161569 0.114210 Br\n0.281589 0.838431 0.385790 Br\n0.132370 0.528739 0.544716 Br\n0.632370 0.471261 0.955284 Br\n0.867630 0.471261 0.455284 Br\n0.367630 0.528739 0.044716 Br\n",
"nsites": 88,
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"volume": 2508.759585363498,
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"formula_full": "Ta16 Se64 Br8",
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{
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"structure_string": "Tc3 Pt1\n1.0\n1.381154 -2.392228 0.000000\n1.381154 2.392228 0.000000\n0.000000 0.000000 8.955736\nTc Pt\n3 1\ndirect\n0.333333 0.666667 0.000000 Tc\n0.666667 0.333333 0.755711 Tc\n0.666667 0.333333 0.244289 Tc\n0.333333 0.666667 0.500000 Pt\n",
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{
"id": "mp-1104052",
"created_at": "2022-09-04T14:44:11.849809Z",
"structure_string": "Pr9 Ga4\n1.0\n-6.089542 6.089542 2.621932\n6.089542 -6.089542 2.621932\n6.089542 6.089542 -2.621932\nPr Ga\n9 4\ndirect\n0.500000 0.500000 0.000000 Pr\n0.596278 0.874635 0.470913 Pr\n0.403722 0.125365 0.529087 Pr\n0.125365 0.596278 0.721642 Pr\n0.874635 0.403722 0.278358 Pr\n0.889980 0.814996 0.704976 Pr\n0.110020 0.185004 0.295024 Pr\n0.185004 0.889980 0.074984 Pr\n0.814996 0.110020 0.925016 Pr\n0.733281 0.612838 0.346118 Ga\n0.266719 0.387162 0.653882 Ga\n0.387162 0.733281 0.120443 Ga\n0.612838 0.266719 0.879557 Ga\n",
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{
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"structure_string": "Na3 Ag1\n1.0\n-2.499283 2.499283 4.342433\n2.499283 -2.499283 4.342433\n2.499283 2.499283 -4.342433\nNa Ag\n3 1\ndirect\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Ag\n",
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