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{
"id": "mp-1177906",
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"structure_string": "Li8 Ti12 Co4 O32\n1.0\n8.453153 0.000000 0.000000\n0.000000 8.453153 0.000000\n0.000000 0.000000 8.453153\nLi Ti Co O\n8 12 4 32\ndirect\n0.499462 0.499462 0.499462 Li\n0.750538 0.750538 0.750538 Li\n0.749462 0.249462 0.250538 Li\n0.000538 0.500538 0.999462 Li\n0.999462 0.000538 0.500538 Li\n0.250538 0.749462 0.249462 Li\n0.249462 0.250538 0.749462 Li\n0.500538 0.999462 0.000538 Li\n0.628214 0.621786 0.125000 Ti\n0.625000 0.871786 0.378214 Ti\n0.621786 0.125000 0.628214 Ti\n0.878214 0.875000 0.128214 Ti\n0.875000 0.128214 0.878214 Ti\n0.871786 0.378214 0.625000 Ti\n0.128214 0.878214 0.875000 Ti\n0.125000 0.628214 0.621786 Ti\n0.121786 0.375000 0.371786 Ti\n0.378214 0.625000 0.871786 Ti\n0.375000 0.371786 0.121786 Ti\n0.371786 0.121786 0.375000 Ti\n0.625000 0.375000 0.875000 Co\n0.875000 0.625000 0.375000 Co\n0.125000 0.125000 0.125000 Co\n0.375000 0.875000 0.625000 Co\n0.605676 0.624580 0.890275 O\n0.609725 0.394324 0.124580 O\n0.611845 0.111845 0.388155 O\n0.625420 0.644324 0.359725 O\n0.624580 0.890275 0.605676 O\n0.638155 0.861845 0.138155 O\n0.640275 0.125420 0.855676 O\n0.644324 0.359725 0.625420 O\n0.855676 0.640275 0.125420 O\n0.859725 0.874580 0.355676 O\n0.861845 0.138155 0.638155 O\n0.875420 0.109725 0.105676 O\n0.874580 0.355676 0.859725 O\n0.888155 0.888155 0.888155 O\n0.890275 0.605676 0.624580 O\n0.894324 0.375420 0.390275 O\n0.105676 0.875420 0.109725 O\n0.109725 0.105676 0.875420 O\n0.111845 0.388155 0.611845 O\n0.125420 0.855676 0.640275 O\n0.124580 0.609725 0.394324 O\n0.138155 0.638155 0.861845 O\n0.140275 0.374580 0.144324 O\n0.144324 0.140275 0.374580 O\n0.355676 0.859725 0.874580 O\n0.359725 0.625420 0.644324 O\n0.361845 0.361845 0.361845 O\n0.375420 0.390275 0.894324 O\n0.374580 0.144324 0.140275 O\n0.388155 0.611845 0.111845 O\n0.390275 0.894324 0.375420 O\n0.394324 0.124580 0.609725 O\n",
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{
"id": "mp-755603",
"created_at": "2022-09-04T14:48:29.439191Z",
"structure_string": "K2 P2 W2 C2 O14\n1.0\n6.539530 0.000000 0.000000\n0.000000 5.341601 0.000000\n0.000000 0.431788 10.570475\nK P W C O\n2 2 2 2 14\ndirect\n0.606949 0.759855 0.790979 K\n0.106949 0.240145 0.209021 K\n0.725215 0.268145 0.564080 P\n0.225215 0.731855 0.435920 P\n0.223249 0.226541 0.651357 W\n0.723249 0.773459 0.348643 W\n0.262672 0.288685 0.887021 C\n0.762672 0.711315 0.112979 C\n0.790277 0.666645 0.001126 O\n0.245632 0.065120 0.837684 O\n0.250163 0.474103 0.791843 O\n0.911909 0.215125 0.652752 O\n0.538820 0.205329 0.651161 O\n0.229874 0.907061 0.547517 O\n0.717389 0.545464 0.519861 O\n0.217389 0.454536 0.480139 O\n0.729874 0.092939 0.452483 O\n0.038820 0.794671 0.348839 O\n0.411909 0.784875 0.347248 O\n0.750163 0.525897 0.208157 O\n0.745632 0.934880 0.162316 O\n0.290277 0.333355 0.998874 O\n",
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"formula_full": "K2 P2 W2 C2 O14",
"formula_reduced": "KPWCO7",
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{
"id": "mp-1247598",
"created_at": "2022-09-04T14:48:29.432539Z",
"structure_string": "Sr1 Ca7 Mn7 Cr1 O22\n1.0\n7.718789 -0.047866 0.007240\n-0.047866 7.718789 0.007240\n0.007101 0.007101 7.665416\nSr Ca Mn Cr O\n1 7 7 1 22\ndirect\n0.251222 0.251222 0.230293 Sr\n0.252345 0.252345 0.740215 Ca\n0.250844 0.750112 0.241339 Ca\n0.249757 0.747929 0.732434 Ca\n0.750112 0.250844 0.241339 Ca\n0.747929 0.249757 0.732434 Ca\n0.748862 0.748862 0.250676 Ca\n0.750444 0.750444 0.703257 Ca\n0.000539 0.000539 0.506703 Mn\n0.994308 0.505679 0.003894 Mn\n0.999047 0.501022 0.495726 Mn\n0.505679 0.994308 0.003894 Mn\n0.501022 0.999047 0.495726 Mn\n0.506854 0.506854 0.986171 Mn\n0.501281 0.501281 0.508028 Mn\n0.991839 0.991839 0.988067 Cr\n0.958980 0.958980 0.757574 O\n0.030468 0.470513 0.252000 O\n0.965413 0.533921 0.751716 O\n0.470513 0.030468 0.252000 O\n0.533921 0.965413 0.751716 O\n0.539145 0.539145 0.750027 O\n0.239168 0.995728 0.992899 O\n0.249310 0.999441 0.532254 O\n0.254533 0.504454 0.982972 O\n0.252233 0.501062 0.526986 O\n0.760643 0.000726 0.058931 O\n0.755225 0.003247 0.456554 O\n0.742966 0.498416 0.056872 O\n0.744999 0.497326 0.454916 O\n0.995728 0.239168 0.992899 O\n0.999441 0.249310 0.532254 O\n0.000726 0.760643 0.058931 O\n0.003247 0.755225 0.456554 O\n0.504454 0.254533 0.982972 O\n0.501062 0.252233 0.526986 O\n0.498416 0.742966 0.056872 O\n0.497326 0.744999 0.454916 O\n",
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"formula_full": "Sr1 Ca7 Mn7 Cr1 O22",
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{
"id": "mp-752844",
"created_at": "2022-09-04T14:48:29.425384Z",
"structure_string": "Li4 Mn2 Si2 O8\n1.0\n2.256838 -2.256838 4.280301\n2.256839 -2.256839 -4.280301\n4.513787 4.513787 0.000000\nLi Mn Si O\n4 2 2 8\ndirect\n0.500009 0.999991 0.250000 Li\n0.000009 0.499991 0.750000 Li\n0.500009 0.999991 0.750000 Li\n0.000009 0.499991 0.250000 Li\n0.499985 0.500015 0.500000 Mn\n0.999985 0.000015 0.000000 Mn\n0.000002 0.999998 0.500000 Si\n0.500002 0.499998 0.000000 Si\n0.113791 0.886209 0.289921 O\n0.613791 0.386209 0.789922 O\n0.113790 0.886209 0.710079 O\n0.613791 0.386209 0.210078 O\n0.676156 0.903742 0.500000 O\n0.176156 0.403742 0.000000 O\n0.096257 0.323844 0.500000 O\n0.596258 0.823844 0.000000 O\n",
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"formula_full": "Li4 Mn2 Si2 O8",
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{
"id": "mp-1104531",
"created_at": "2022-09-04T14:48:29.424219Z",
"structure_string": "Sm4 Te10\n1.0\n2.207530 -22.130027 0.000000\n2.207530 22.130027 0.000000\n0.000000 0.000000 4.416870\nSm Te\n4 10\ndirect\n0.098346 0.901654 0.750000 Sm\n0.901654 0.098346 0.250000 Sm\n0.306724 0.693276 0.750000 Sm\n0.693276 0.306724 0.250000 Sm\n0.957959 0.042041 0.750000 Te\n0.042041 0.957959 0.250000 Te\n0.542491 0.457509 0.750000 Te\n0.457509 0.542491 0.250000 Te\n0.749930 0.250070 0.750000 Te\n0.250070 0.749930 0.250000 Te\n0.172908 0.827092 0.750000 Te\n0.827092 0.172908 0.250000 Te\n0.379768 0.620232 0.750000 Te\n0.620232 0.379768 0.250000 Te\n",
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{
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"structure_string": "Zn2 Ni8 O10\n1.0\n1.502761 6.544001 0.000000\n-1.502761 6.544001 0.000000\n0.000000 2.072995 9.743407\nZn Ni O\n2 8 10\ndirect\n0.100060 0.100060 0.700078 Zn\n0.899940 0.899940 0.299922 Zn\n0.399682 0.399682 0.800598 Ni\n0.700329 0.700329 0.900867 Ni\n0.600318 0.600318 0.199402 Ni\n0.299671 0.299671 0.099133 Ni\n0.200180 0.200180 0.399194 Ni\n0.000000 0.000000 0.000000 Ni\n0.799820 0.799820 0.600806 Ni\n0.500000 0.500000 0.500000 Ni\n0.251523 0.251523 0.751370 O\n0.150583 0.150583 0.049910 O\n0.548919 0.548919 0.853058 O\n0.849417 0.849417 0.950090 O\n0.748477 0.748477 0.248630 O\n0.451081 0.451081 0.146942 O\n0.348991 0.348991 0.453375 O\n0.651009 0.651009 0.546625 O\n0.051341 0.051341 0.350530 O\n0.948659 0.948659 0.649470 O\n",
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{
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"structure_string": "Sb8 P8 O36\n1.0\n6.637051 0.000000 0.000000\n0.000000 8.416398 0.000000\n0.000000 0.000000 14.672024\nSb P O\n8 8 36\ndirect\n0.250000 0.861015 0.378913 Sb\n0.750000 0.138985 0.621087 Sb\n0.750000 0.361015 0.121087 Sb\n0.250000 0.638985 0.878913 Sb\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.750000 0.862726 0.439460 P\n0.250000 0.137274 0.560540 P\n0.250000 0.362726 0.060540 P\n0.750000 0.637274 0.939460 P\n0.250000 0.892942 0.196476 P\n0.250000 0.607058 0.696476 P\n0.750000 0.392942 0.303524 P\n0.750000 0.107058 0.803524 P\n0.558506 0.094259 0.860823 O\n0.058506 0.905741 0.139177 O\n0.441494 0.594259 0.639177 O\n0.941494 0.405741 0.360823 O\n0.441494 0.905741 0.139177 O\n0.941494 0.094259 0.860823 O\n0.558506 0.405741 0.360823 O\n0.058506 0.594259 0.639177 O\n0.750000 0.805495 0.985734 O\n0.250000 0.194505 0.014266 O\n0.250000 0.305495 0.514266 O\n0.750000 0.694505 0.485734 O\n0.250000 0.665909 0.450146 O\n0.750000 0.334091 0.549854 O\n0.750000 0.165909 0.049854 O\n0.250000 0.834091 0.950146 O\n0.250000 0.737958 0.259253 O\n0.750000 0.262042 0.740747 O\n0.750000 0.237958 0.240747 O\n0.250000 0.762042 0.759253 O\n0.939345 0.621484 0.879078 O\n0.439345 0.378516 0.120922 O\n0.060655 0.121484 0.620922 O\n0.560655 0.878516 0.379078 O\n0.060655 0.378516 0.120922 O\n0.560655 0.621484 0.879078 O\n0.939345 0.878516 0.379078 O\n0.439345 0.121484 0.620922 O\n0.250000 0.006847 0.486615 O\n0.750000 0.522469 0.221123 O\n0.750000 0.977531 0.721123 O\n0.250000 0.022469 0.278877 O\n0.250000 0.493153 0.986615 O\n0.750000 0.506847 0.013385 O\n0.750000 0.993153 0.513385 O\n0.250000 0.477531 0.778877 O\n",
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{
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"structure_string": "Al2 Fe4 N6\n1.0\n5.333550 0.062001 0.000000\n-2.613531 4.526256 0.000000\n0.000000 0.000000 4.964757\nAl Fe N\n2 4 6\ndirect\n0.000000 0.667834 0.500074 Al\n0.000000 0.332166 0.000074 Al\n0.351429 0.344742 0.488654 Fe\n0.648571 0.993314 0.488654 Fe\n0.648571 0.655258 0.988654 Fe\n0.351429 0.006686 0.988654 Fe\n0.327267 0.325470 0.857807 N\n0.672733 0.998203 0.857807 N\n0.672733 0.674530 0.357807 N\n0.327267 0.001797 0.357807 N\n0.000000 0.672577 0.879002 N\n0.000000 0.327423 0.379002 N\n",
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{
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{
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{
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"structure_string": "Ca2 Ni4 O8\n1.0\n3.011159 -0.000066 0.618242\n1.400412 7.730674 0.822216\n0.186392 0.549317 6.745189\nCa Ni O\n2 4 8\ndirect\n0.347886 0.161950 0.150896 Ca\n0.654529 0.816094 0.882150 Ca\n0.640181 0.156209 0.571560 Ni\n0.137042 0.520954 0.212415 Ni\n0.865304 0.457274 0.820474 Ni\n0.362067 0.821966 0.461558 Ni\n0.866429 0.685755 0.588462 O\n0.461984 0.293461 0.790740 O\n0.540375 0.684540 0.242419 O\n0.135777 0.292367 0.444690 O\n0.160761 0.993698 0.692484 O\n0.753582 0.374757 0.125870 O\n0.841732 0.984284 0.340458 O\n0.248661 0.603492 0.907267 O\n",
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{
"id": "mp-1028017",
"created_at": "2022-09-04T14:48:29.410736Z",
"structure_string": "Mg14 Zn1 Cr1\n1.0\n6.266152 -0.000921 0.000000\n-3.133874 5.428028 0.000000\n0.000000 0.000000 10.167226\nMg Zn Cr\n14 1 1\ndirect\n0.167482 0.333740 0.625000 Mg\n0.167532 0.833765 0.625000 Mg\n0.669091 0.336640 0.125000 Mg\n0.665296 0.332582 0.625000 Mg\n0.669091 0.832450 0.125000 Mg\n0.665296 0.832713 0.625000 Mg\n0.328443 0.164036 0.366076 Mg\n0.328443 0.164036 0.883924 Mg\n0.328443 0.664408 0.366076 Mg\n0.328443 0.664408 0.883924 Mg\n0.836140 0.168071 0.372402 Mg\n0.836140 0.168071 0.877598 Mg\n0.837058 0.668529 0.372924 Mg\n0.837058 0.668529 0.877076 Mg\n0.169264 0.334632 0.125000 Zn\n0.166783 0.833391 0.125000 Cr\n",
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}