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{
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{
"id": "mp-568498",
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"structure_string": "Sm2 C3 N6\n1.0\n1.963864 7.358170 0.000000\n-1.963864 7.358170 0.000000\n0.000000 0.584855 5.278264\nSm C N\n2 3 6\ndirect\n0.865473 0.865473 0.071142 Sm\n0.134527 0.134527 0.928858 Sm\n0.327946 0.327946 0.593865 C\n0.672054 0.672054 0.406135 C\n0.000000 0.000000 0.500000 C\n0.989087 0.989087 0.733505 N\n0.689528 0.689528 0.170487 N\n0.657565 0.657565 0.636731 N\n0.010913 0.010913 0.266495 N\n0.310472 0.310472 0.829513 N\n0.342435 0.342435 0.363269 N\n",
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{
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"structure_string": "Tb1 H9 C5 N2 O8\n1.0\n3.655592 5.660639 0.000000\n-3.655592 5.660639 0.000000\n0.000000 1.999555 6.373914\nTb H C N O\n1 9 5 2 8\ndirect\n0.515890 0.484110 0.000000 Tb\n0.158553 0.282828 0.421366 H\n0.717172 0.841447 0.578634 H\n0.249638 0.001384 0.540185 H\n0.998616 0.750362 0.459815 H\n0.978938 0.045694 0.818281 H\n0.954306 0.021062 0.181719 H\n0.346390 0.028846 0.119578 H\n0.971154 0.653610 0.880422 H\n0.597089 0.402911 0.500000 H\n0.979023 0.196827 0.706055 C\n0.803173 0.020977 0.293945 C\n0.456187 0.016383 0.964489 C\n0.983617 0.543813 0.035511 C\n0.446618 0.553382 0.500000 C\n0.142144 0.160503 0.543579 N\n0.839497 0.857856 0.456421 N\n0.834894 0.381927 0.736784 O\n0.618073 0.165106 0.263216 O\n0.502345 0.845379 0.886090 O\n0.154621 0.497655 0.113910 O\n0.370344 0.639915 0.666054 O\n0.360085 0.629656 0.333946 O\n0.830174 0.474243 0.121991 O\n0.525757 0.169826 0.878009 O\n",
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"formula_full": "Tb1 H9 C5 N2 O8",
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{
"id": "mp-1218366",
"created_at": "2022-09-04T14:40:59.807755Z",
"structure_string": "Sr2 Ca2 Mn4 O12\n1.0\n-5.380686 0.000872 0.000014\n-0.000871 5.381519 0.000011\n0.000020 -0.000014 -7.761486\nSr Ca Mn O\n2 2 4 12\ndirect\n0.500000 0.000000 0.250052 Sr\n0.000000 0.500000 0.750059 Sr\n0.000000 0.500000 0.249940 Ca\n0.500000 0.000000 0.749948 Ca\n0.000002 0.000002 0.500010 Mn\n0.499999 0.500001 0.500002 Mn\n0.500001 0.499998 0.000008 Mn\n0.000000 0.999999 0.999995 Mn\n0.500000 0.499999 0.250003 O\n0.000000 0.999999 0.750013 O\n0.999999 0.000001 0.250000 O\n0.499999 0.500001 0.750016 O\n0.202128 0.297860 0.489137 O\n0.702132 0.797863 0.989135 O\n0.797872 0.702140 0.489137 O\n0.297867 0.202137 0.989135 O\n0.797898 0.297894 0.010852 O\n0.297902 0.797892 0.510851 O\n0.202101 0.702106 0.010853 O\n0.702098 0.202108 0.510852 O\n",
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"formula_full": "Sr2 Ca2 Mn4 O12",
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},
{
"id": "mp-1028268",
"created_at": "2022-09-04T14:40:59.703154Z",
"structure_string": "Li1 Mg14 Sn1\n1.0\n6.342416 0.013541 0.000000\n-3.159481 5.472381 0.000000\n0.000000 0.000000 10.454199\nLi Mg Sn\n1 14 1\ndirect\n0.166644 0.833322 0.125000 Li\n0.166648 0.333324 0.625000 Mg\n0.166758 0.833379 0.625000 Mg\n0.667025 0.333978 0.125000 Mg\n0.666678 0.333117 0.625000 Mg\n0.667025 0.833046 0.125000 Mg\n0.666678 0.833560 0.625000 Mg\n0.333227 0.166327 0.375156 Mg\n0.333227 0.166327 0.874844 Mg\n0.333227 0.666901 0.375156 Mg\n0.333227 0.666901 0.874844 Mg\n0.832931 0.166466 0.375322 Mg\n0.832931 0.166466 0.874678 Mg\n0.833354 0.666677 0.375395 Mg\n0.833354 0.666677 0.874605 Mg\n0.167067 0.333533 0.125000 Sn\n",
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"formula_full": "Li1 Mg14 Sn1",
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{
"id": "mp-1207957",
"created_at": "2022-09-04T14:40:59.719476Z",
"structure_string": "Y8 Fe56 C4\n1.0\n8.700454 0.000000 0.000000\n0.000000 8.700454 0.000000\n0.000000 0.000000 11.724416\nY Fe C\n8 56 4\ndirect\n0.357689 0.357689 0.000000 Y\n0.642311 0.642311 0.000000 Y\n0.142311 0.857689 0.500000 Y\n0.857689 0.142311 0.500000 Y\n0.238099 0.761901 0.000000 Y\n0.761901 0.238099 0.000000 Y\n0.738099 0.738099 0.500000 Y\n0.261901 0.261901 0.500000 Y\n0.066218 0.274689 0.120953 Fe\n0.933782 0.725311 0.879047 Fe\n0.933782 0.725311 0.120953 Fe\n0.225311 0.566218 0.620953 Fe\n0.433782 0.774689 0.379047 Fe\n0.066218 0.274689 0.879047 Fe\n0.774689 0.433782 0.379047 Fe\n0.566218 0.225311 0.620953 Fe\n0.774689 0.433782 0.620953 Fe\n0.566218 0.225311 0.379047 Fe\n0.225311 0.566218 0.379047 Fe\n0.433782 0.774689 0.620953 Fe\n0.274689 0.066218 0.879047 Fe\n0.725311 0.933782 0.120953 Fe\n0.725311 0.933782 0.879047 Fe\n0.274689 0.066218 0.120953 Fe\n0.037167 0.358361 0.324609 Fe\n0.962833 0.641639 0.675391 Fe\n0.962833 0.641639 0.324609 Fe\n0.141639 0.537167 0.824609 Fe\n0.462833 0.858361 0.175391 Fe\n0.037167 0.358361 0.675391 Fe\n0.858361 0.462833 0.175391 Fe\n0.537167 0.141639 0.824609 Fe\n0.858361 0.462833 0.824609 Fe\n0.537167 0.141639 0.175391 Fe\n0.141639 0.537167 0.175391 Fe\n0.462833 0.858361 0.824609 Fe\n0.358361 0.037167 0.675391 Fe\n0.641639 0.962833 0.324609 Fe\n0.641639 0.962833 0.675391 Fe\n0.358361 0.037167 0.324609 Fe\n0.317504 0.317504 0.254259 Fe\n0.682496 0.682496 0.745741 Fe\n0.682496 0.682496 0.254259 Fe\n0.182496 0.817504 0.754259 Fe\n0.182496 0.817504 0.245741 Fe\n0.317504 0.317504 0.745741 Fe\n0.817504 0.182496 0.245741 Fe\n0.817504 0.182496 0.754259 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.097618 0.097618 0.296341 Fe\n0.902382 0.902382 0.703659 Fe\n0.902382 0.902382 0.296341 Fe\n0.402382 0.597618 0.796341 Fe\n0.402382 0.597618 0.203659 Fe\n0.097618 0.097618 0.703659 Fe\n0.597618 0.402382 0.203659 Fe\n0.597618 0.402382 0.796341 Fe\n0.000000 0.000000 0.108491 Fe\n0.000000 0.000000 0.891509 Fe\n0.500000 0.500000 0.608491 Fe\n0.500000 0.500000 0.391509 Fe\n0.125593 0.125593 0.000000 C\n0.874407 0.874407 0.000000 C\n0.374407 0.625593 0.500000 C\n0.625593 0.374407 0.500000 C\n",
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"formula_full": "Y8 Fe56 C4",
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{
"id": "mp-1112601",
"created_at": "2022-09-04T14:40:59.720407Z",
"structure_string": "Cs2 Co1 Hg1 F6\n1.0\n5.893189 0.000000 0.000000\n2.946595 5.103651 0.000000\n2.946595 1.701217 4.811769\nCs Co Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Hg\n0.225288 0.774712 0.225288 F\n0.774712 0.774712 0.225288 F\n0.774712 0.225288 0.774712 F\n0.774712 0.225288 0.225288 F\n0.225288 0.774712 0.774712 F\n0.225288 0.225288 0.774712 F\n",
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{
"id": "mp-1175661",
"created_at": "2022-09-04T14:40:59.958356Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n4.980617 0.000000 0.000000\n-0.205932 5.995484 0.000000\n-1.839993 -2.627160 9.661555\nLi Mn Co O\n9 2 5 16\ndirect\n0.248555 0.879865 0.753941 Li\n0.248167 0.374462 0.245921 Li\n0.747576 0.620004 0.752983 Li\n0.745095 0.123302 0.247235 Li\n0.247444 0.369429 0.751478 Li\n0.255430 0.867643 0.246686 Li\n0.748879 0.135399 0.753664 Li\n0.757857 0.630895 0.247151 Li\n0.001699 0.496162 0.999028 Li\n0.000128 0.004004 0.000130 Mn\n0.499239 0.749285 0.499588 Mn\n0.999337 0.497267 0.499892 Co\n0.502975 0.737095 0.998767 Co\n0.500521 0.250611 0.500227 Co\n0.000862 0.002410 0.500120 Co\n0.496972 0.255769 0.000502 Co\n0.132970 0.178575 0.886769 O\n0.134315 0.696962 0.382649 O\n0.642032 0.915257 0.883820 O\n0.638676 0.420203 0.383686 O\n0.147244 0.721378 0.896417 O\n0.142130 0.200367 0.387827 O\n0.604504 0.432395 0.886990 O\n0.638974 0.930177 0.384701 O\n0.360630 0.571799 0.616238 O\n0.359876 0.076764 0.113404 O\n0.859718 0.301823 0.615371 O\n0.855463 0.822458 0.111341 O\n0.362055 0.079160 0.615875 O\n0.392905 0.581442 0.117425 O\n0.865398 0.800103 0.614340 O\n0.862373 0.277534 0.105836 O\n",
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{
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"structure_string": "La8 Ti4 Cr4 O24\n1.0\n-5.702702 -3.351823 4.561904\n-0.037873 -6.532424 -4.485506\n2.803012 -1.679131 9.061819\nLa Ti Cr O\n8 4 4 24\ndirect\n0.626443 0.384792 0.252758 La\n0.878524 0.626375 0.749370 La\n0.129043 0.875906 0.248332 La\n0.377425 0.129598 0.749160 La\n0.871258 0.123775 0.750613 La\n0.123337 0.365323 0.247158 La\n0.372815 0.620127 0.750805 La\n0.621067 0.873932 0.251760 La\n0.500775 0.499478 0.998860 Ti\n0.752523 0.750144 0.499654 Ti\n0.997293 0.999970 0.000401 Ti\n0.249295 0.250466 0.501118 Ti\n0.751380 0.248458 0.499782 Cr\n0.998713 0.501562 0.000376 Cr\n0.247786 0.751769 0.501091 Cr\n0.502247 0.998281 0.999133 Cr\n0.817756 0.985073 0.471218 O\n0.064899 0.237655 0.972542 O\n0.309910 0.473790 0.465934 O\n0.559484 0.720623 0.960053 O\n0.593878 0.338146 0.748537 O\n0.836594 0.599469 0.248854 O\n0.078709 0.845686 0.753402 O\n0.335646 0.087962 0.252871 O\n0.982804 0.309989 0.531138 O\n0.233233 0.560522 0.028614 O\n0.501092 0.821380 0.533727 O\n0.747015 0.077657 0.038985 O\n0.913577 0.150498 0.251086 O\n0.156251 0.411696 0.751302 O\n0.414205 0.662242 0.247229 O\n0.671088 0.904470 0.746776 O\n0.516559 0.189337 0.471399 O\n0.767324 0.440039 0.968842 O\n0.003056 0.672378 0.460896 O\n0.249084 0.928700 0.966222 O\n0.685218 0.512311 0.527561 O\n0.932454 0.764907 0.028749 O\n0.190256 0.029303 0.539792 O\n0.439986 0.276208 0.033902 O\n",
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