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{
"id": "mp-1265277",
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"formula_full": "Ca12 Mn8 Si12 O48",
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"spacegroup": 142
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{
"id": "mp-1210907",
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"structure_string": "Mg6 Cu4 P6 O24\n1.0\n0.062769 0.000000 -6.478762\n-5.270521 -6.326512 2.679245\n-5.270521 6.326512 2.679245\nMg Cu P O\n6 4 6 24\ndirect\n0.750000 0.229611 0.770389 Mg\n0.250000 0.770389 0.229611 Mg\n0.630464 0.558015 0.873408 Mg\n0.369536 0.441985 0.126592 Mg\n0.869536 0.126592 0.441985 Mg\n0.130464 0.873408 0.558015 Mg\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.750000 0.502630 0.497370 Cu\n0.250000 0.497370 0.502630 Cu\n0.750000 0.800451 0.199549 P\n0.250000 0.199549 0.800451 P\n0.872990 0.381912 0.163108 P\n0.127010 0.618088 0.836892 P\n0.627010 0.836892 0.618088 P\n0.372990 0.163108 0.381912 P\n0.774189 0.780903 0.024921 O\n0.225811 0.219097 0.975079 O\n0.725811 0.975079 0.219097 O\n0.274189 0.024921 0.780903 O\n0.683899 0.457181 0.111554 O\n0.316101 0.542819 0.888446 O\n0.816101 0.888446 0.542819 O\n0.183899 0.111554 0.457181 O\n0.799150 0.219338 0.035940 O\n0.200850 0.780662 0.964060 O\n0.700850 0.964060 0.780662 O\n0.299150 0.035940 0.219338 O\n0.891848 0.492640 0.831889 O\n0.108152 0.507360 0.168111 O\n0.608152 0.168111 0.507360 O\n0.391848 0.831889 0.492640 O\n0.576130 0.652242 0.650845 O\n0.423870 0.347758 0.349155 O\n0.923870 0.349155 0.347758 O\n0.076130 0.650845 0.652242 O\n0.529982 0.684783 0.222029 O\n0.470018 0.315217 0.777971 O\n0.970018 0.777971 0.315217 O\n0.029982 0.222029 0.684783 O\n",
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{
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"structure_string": "Ca12 Ni8 Ge12 O48\n1.0\n-6.196481 6.196481 6.196481\n6.196481 -6.196481 6.196481\n6.196481 6.196481 -6.196481\nCa Ni Ge O\n12 8 12 48\ndirect\n0.250000 0.875000 0.625000 Ca\n0.750000 0.625000 0.875000 Ca\n0.625000 0.875000 0.750000 Ca\n0.875000 0.625000 0.250000 Ca\n0.625000 0.250000 0.875000 Ca\n0.875000 0.750000 0.625000 Ca\n0.750000 0.125000 0.375000 Ca\n0.250000 0.375000 0.125000 Ca\n0.375000 0.125000 0.250000 Ca\n0.125000 0.375000 0.750000 Ca\n0.375000 0.750000 0.125000 Ca\n0.125000 0.250000 0.375000 Ca\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.125000 0.750000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.625000 0.375000 0.250000 Ge\n0.750000 0.875000 0.125000 Ge\n0.875000 0.125000 0.750000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.125000 0.875000 Ge\n0.125000 0.875000 0.250000 Ge\n0.375000 0.625000 0.750000 Ge\n0.625000 0.750000 0.375000 Ge\n0.375000 0.250000 0.625000 Ge\n0.415971 0.815140 0.796574 O\n0.880604 0.399170 0.084029 O\n0.100830 0.981434 0.684860 O\n0.518566 0.619396 0.703426 O\n0.684860 0.084029 0.703426 O\n0.619396 0.703426 0.518566 O\n0.619396 0.415971 0.100830 O\n0.703426 0.518566 0.619396 O\n0.815140 0.518566 0.399170 O\n0.981434 0.796574 0.880604 O\n0.796574 0.880604 0.981434 O\n0.703426 0.684860 0.084029 O\n0.415971 0.100830 0.619396 O\n0.399170 0.815140 0.518566 O\n0.084029 0.703426 0.684860 O\n0.100830 0.619396 0.415971 O\n0.518566 0.399170 0.815140 O\n0.084029 0.880604 0.399170 O\n0.981434 0.684860 0.100830 O\n0.184860 0.481434 0.600830 O\n0.684860 0.100830 0.981434 O\n0.796574 0.415971 0.815140 O\n0.399170 0.084029 0.880604 O\n0.880604 0.981434 0.796574 O\n0.584029 0.184860 0.203426 O\n0.119396 0.600830 0.915971 O\n0.899170 0.018566 0.315140 O\n0.481434 0.380604 0.296574 O\n0.315140 0.915971 0.296574 O\n0.380604 0.296574 0.481434 O\n0.380604 0.584029 0.899170 O\n0.296574 0.481434 0.380604 O\n0.119396 0.018566 0.203426 O\n0.600830 0.915971 0.119396 O\n0.203426 0.584029 0.184860 O\n0.184860 0.203426 0.584029 O\n0.315140 0.899170 0.018566 O\n0.018566 0.315140 0.899170 O\n0.915971 0.119396 0.600830 O\n0.481434 0.600830 0.184860 O\n0.899170 0.380604 0.584029 O\n0.915971 0.296574 0.315140 O\n0.600830 0.184860 0.481434 O\n0.584029 0.899170 0.380604 O\n0.296574 0.315140 0.915971 O\n0.203426 0.119396 0.018566 O\n0.018566 0.203426 0.119396 O\n0.815140 0.796574 0.415971 O\n",
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{
"id": "mp-757899",
"created_at": "2022-09-04T14:39:17.439841Z",
"structure_string": "Li12 Sn8 P12 O48\n1.0\n9.129663 0.000000 0.000000\n0.000000 8.941123 0.000000\n0.000000 8.419282 13.128792\nLi Sn P O\n12 8 12 48\ndirect\n0.075249 0.201432 0.712162 Li\n0.776880 0.607241 0.174403 Li\n0.745779 0.997638 0.807144 Li\n0.276880 0.392759 0.325597 Li\n0.245779 0.002362 0.692856 Li\n0.575249 0.798568 0.787838 Li\n0.424751 0.201432 0.212162 Li\n0.723120 0.607241 0.674403 Li\n0.754221 0.997638 0.307144 Li\n0.254221 0.002362 0.192856 Li\n0.223120 0.392759 0.825597 Li\n0.924751 0.798568 0.287838 Li\n0.050738 0.824825 0.912772 Sn\n0.441873 0.648968 0.104995 Sn\n0.941873 0.351032 0.395005 Sn\n0.550738 0.175175 0.587228 Sn\n0.449262 0.824825 0.412772 Sn\n0.058127 0.648968 0.604995 Sn\n0.949262 0.175175 0.087228 Sn\n0.558127 0.351032 0.895005 Sn\n0.235348 0.422767 0.510050 P\n0.093336 0.712587 0.170169 P\n0.401851 0.031740 0.860615 P\n0.593336 0.287413 0.329831 P\n0.901851 0.968260 0.639385 P\n0.735348 0.577233 0.989950 P\n0.264652 0.422767 0.010050 P\n0.098149 0.031740 0.360615 P\n0.406664 0.712587 0.670169 P\n0.598149 0.968260 0.139385 P\n0.906664 0.287413 0.829831 P\n0.764652 0.577233 0.489950 P\n0.871176 0.545824 0.421719 O\n0.651025 0.431492 0.546132 O\n0.577414 0.788706 0.143730 O\n0.894352 0.151618 0.799446 O\n0.305296 0.239913 0.581245 O\n0.147298 0.415166 0.425624 O\n0.031090 0.787610 0.063779 O\n0.369049 0.875854 0.975221 O\n0.245105 0.617043 0.185752 O\n0.261248 0.061661 0.799176 O\n0.975574 0.570929 0.243881 O\n0.536036 0.986977 0.820399 O\n0.475574 0.429071 0.256119 O\n0.036036 0.013023 0.679601 O\n0.761248 0.938339 0.700824 O\n0.745105 0.382957 0.314248 O\n0.531090 0.212390 0.436221 O\n0.869049 0.124146 0.524779 O\n0.647298 0.584834 0.074376 O\n0.805296 0.760087 0.918755 O\n0.077414 0.211294 0.356270 O\n0.394352 0.848382 0.700554 O\n0.371176 0.454176 0.078281 O\n0.151025 0.568508 0.953868 O\n0.628824 0.545824 0.921719 O\n0.848975 0.431492 0.046132 O\n0.605648 0.151618 0.299446 O\n0.922586 0.788706 0.643730 O\n0.194704 0.239913 0.081245 O\n0.352702 0.415166 0.925624 O\n0.130951 0.875854 0.475221 O\n0.468910 0.787610 0.563779 O\n0.238752 0.061661 0.299176 O\n0.254895 0.617043 0.685752 O\n0.963964 0.986977 0.320399 O\n0.524426 0.570929 0.743881 O\n0.463964 0.013023 0.179601 O\n0.024426 0.429071 0.756119 O\n0.738752 0.938339 0.200824 O\n0.754895 0.382957 0.814248 O\n0.630951 0.124146 0.024779 O\n0.968910 0.212390 0.936221 O\n0.694704 0.760087 0.418755 O\n0.852702 0.584834 0.574376 O\n0.422586 0.211294 0.856270 O\n0.105648 0.848382 0.200554 O\n0.348975 0.568508 0.453868 O\n0.128824 0.454176 0.578281 O\n",
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{
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"structure_string": "Pr4 Sn6 Pb6 S24\n1.0\n-4.004155 0.000000 0.000000\n0.000000 0.000000 -11.751656\n0.000000 -20.620694 0.000000\nPr Sn Pb S\n4 6 6 24\ndirect\n0.500000 0.651753 0.412384 Pr\n0.500000 0.151753 0.587616 Pr\n0.500000 0.824302 0.894801 Pr\n0.500000 0.324302 0.105199 Pr\n0.000000 0.001227 0.749905 Sn\n0.000000 0.501227 0.250095 Sn\n0.000000 0.517973 0.911247 Sn\n0.000000 0.017973 0.088753 Sn\n0.000000 0.994883 0.423455 Sn\n0.000000 0.494883 0.576545 Sn\n0.500000 0.403583 0.743056 Pb\n0.500000 0.903583 0.256944 Pb\n0.500000 0.197461 0.912436 Pb\n0.500000 0.697461 0.087564 Pb\n0.500000 0.769812 0.623266 Pb\n0.500000 0.269812 0.376734 Pb\n0.000000 0.997814 0.874552 S\n0.000000 0.497814 0.125448 S\n0.000000 0.980320 0.627433 S\n0.000000 0.480320 0.372567 S\n0.000000 0.683874 0.513977 S\n0.000000 0.183874 0.486023 S\n0.500000 0.644349 0.256892 S\n0.500000 0.144349 0.743108 S\n0.500000 0.851370 0.755704 S\n0.500000 0.351370 0.244296 S\n0.500000 0.596951 0.840557 S\n0.500000 0.096951 0.159443 S\n0.500000 0.441064 0.980876 S\n0.500000 0.941064 0.019124 S\n0.500000 0.934736 0.487329 S\n0.500000 0.434737 0.512671 S\n0.000000 0.337945 0.842634 S\n0.000000 0.837945 0.157366 S\n0.000000 0.708471 0.972037 S\n0.000000 0.208471 0.027963 S\n0.000000 0.809335 0.356929 S\n0.000000 0.309335 0.643071 S\n0.000000 0.602077 0.677999 S\n0.000000 0.102077 0.322001 S\n",
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{
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"formula_full": "Ca12 Al8 Si12 O48",
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"spacegroup": 230
},
{
"id": "mp-14047",
"created_at": "2022-09-04T14:47:44.104864Z",
"structure_string": "Al8 Cd12 Si12 O48\n1.0\n-5.987091 5.987091 5.987091\n5.987091 -5.987091 5.987091\n5.987091 5.987091 -5.987091\nAl Cd Si O\n8 12 12 48\ndirect\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.875000 0.625000 0.250000 Cd\n0.625000 0.250000 0.875000 Cd\n0.875000 0.750000 0.625000 Cd\n0.750000 0.625000 0.875000 Cd\n0.250000 0.875000 0.625000 Cd\n0.625000 0.875000 0.750000 Cd\n0.125000 0.375000 0.750000 Cd\n0.375000 0.750000 0.125000 Cd\n0.125000 0.250000 0.375000 Cd\n0.250000 0.375000 0.125000 Cd\n0.750000 0.125000 0.375000 Cd\n0.375000 0.125000 0.250000 Cd\n0.875000 0.250000 0.125000 Si\n0.625000 0.750000 0.375000 Si\n0.750000 0.375000 0.625000 Si\n0.625000 0.375000 0.250000 Si\n0.375000 0.625000 0.750000 Si\n0.125000 0.750000 0.875000 Si\n0.750000 0.875000 0.125000 Si\n0.375000 0.250000 0.625000 Si\n0.250000 0.625000 0.375000 Si\n0.875000 0.125000 0.750000 Si\n0.250000 0.125000 0.875000 Si\n0.125000 0.875000 0.250000 Si\n0.688737 0.081548 0.694528 O\n0.107189 0.994209 0.688737 O\n0.694528 0.505791 0.612980 O\n0.612980 0.694528 0.505791 O\n0.887020 0.392811 0.081548 O\n0.081548 0.887020 0.392811 O\n0.994209 0.688737 0.107189 O\n0.418452 0.107189 0.612980 O\n0.392811 0.811263 0.505791 O\n0.994209 0.805472 0.887020 O\n0.107189 0.612980 0.418452 O\n0.505791 0.392811 0.811263 O\n0.805472 0.887020 0.994209 O\n0.694528 0.688737 0.081548 O\n0.081548 0.694528 0.688737 O\n0.612980 0.418452 0.107189 O\n0.805472 0.418452 0.811263 O\n0.811263 0.505791 0.392811 O\n0.811263 0.805472 0.418452 O\n0.887020 0.994209 0.805472 O\n0.418452 0.811263 0.805472 O\n0.392811 0.081548 0.887020 O\n0.688737 0.107189 0.994209 O\n0.505791 0.612980 0.694528 O\n0.311263 0.918452 0.305472 O\n0.892811 0.005791 0.311263 O\n0.305472 0.494209 0.387020 O\n0.387020 0.305472 0.494209 O\n0.112980 0.607189 0.918452 O\n0.918452 0.112980 0.607189 O\n0.005791 0.311263 0.892811 O\n0.581548 0.892811 0.387020 O\n0.607189 0.188737 0.494209 O\n0.005791 0.194528 0.112980 O\n0.892811 0.387020 0.581548 O\n0.494209 0.607189 0.188737 O\n0.194528 0.112980 0.005791 O\n0.305472 0.311263 0.918452 O\n0.918452 0.305472 0.311263 O\n0.387020 0.581548 0.892811 O\n0.194528 0.581548 0.188737 O\n0.188737 0.494209 0.607189 O\n0.188737 0.194528 0.581548 O\n0.112980 0.005791 0.194528 O\n0.581548 0.188737 0.194528 O\n0.607189 0.918452 0.112980 O\n0.311263 0.892811 0.005791 O\n0.494209 0.387020 0.305472 O\n",
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}