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"structure_string": "Co2 H28 C4 N20 Cl4 O12\n1.0\n7.935601 0.000000 0.000000\n0.000000 13.272622 0.000000\n-3.964981 0.000000 7.085011\nCo H C N Cl O\n2 28 4 20 4 12\ndirect\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.395210 0.816124 0.537705 H\n0.395210 0.683876 0.037705 H\n0.604790 0.183876 0.462295 H\n0.604790 0.316124 0.962295 H\n0.215982 0.867911 0.349437 H\n0.215982 0.632089 0.849437 H\n0.784018 0.132089 0.650563 H\n0.784018 0.367911 0.150563 H\n0.242671 0.056329 0.906277 H\n0.242671 0.443671 0.406277 H\n0.757329 0.943671 0.093723 H\n0.757329 0.556329 0.593723 H\n0.136176 0.845614 0.601968 H\n0.136176 0.654386 0.101968 H\n0.863824 0.154386 0.398032 H\n0.863824 0.345614 0.898032 H\n0.081892 0.953330 0.805464 H\n0.081892 0.546670 0.305464 H\n0.918108 0.046670 0.194536 H\n0.918108 0.453330 0.694536 H\n0.078626 0.209822 0.986036 H\n0.078626 0.290178 0.486036 H\n0.921374 0.790178 0.013964 H\n0.921374 0.709822 0.513964 H\n0.103145 0.287256 0.851220 H\n0.103145 0.212744 0.351220 H\n0.896855 0.712744 0.148780 H\n0.896855 0.787256 0.648780 H\n0.276100 0.981896 0.708954 C\n0.276100 0.518104 0.208954 C\n0.723900 0.018104 0.291046 C\n0.723900 0.481896 0.791046 C\n0.317219 0.881827 0.487120 N\n0.317219 0.618173 0.987120 N\n0.682781 0.118173 0.512880 N\n0.682781 0.381827 0.012880 N\n0.221644 0.902440 0.591302 N\n0.221644 0.597560 0.091302 N\n0.778356 0.097560 0.408698 N\n0.778356 0.402440 0.908698 N\n0.197162 0.995311 0.818812 N\n0.197162 0.504689 0.318812 N\n0.802838 0.004689 0.181188 N\n0.802838 0.495311 0.681188 N\n0.410773 0.043056 0.699805 N\n0.410773 0.456944 0.199805 N\n0.589227 0.956944 0.300195 N\n0.589227 0.543056 0.800195 N\n0.474537 0.127225 0.807318 N\n0.474537 0.372775 0.307318 N\n0.525463 0.872775 0.192682 N\n0.525463 0.627225 0.692682 N\n0.210628 0.095604 0.240547 Cl\n0.210628 0.404396 0.740547 Cl\n0.789372 0.904396 0.759453 Cl\n0.789372 0.595604 0.259453 Cl\n0.591312 0.179743 0.783157 O\n0.591312 0.320257 0.283157 O\n0.408688 0.820257 0.216843 O\n0.408688 0.679743 0.716843 O\n0.422333 0.151415 0.925492 O\n0.422333 0.348585 0.425492 O\n0.577667 0.848585 0.074508 O\n0.577667 0.651415 0.574508 O\n0.006038 0.252076 0.873562 O\n0.006038 0.247924 0.373562 O\n0.993962 0.747924 0.126438 O\n0.993962 0.752076 0.626438 O\n",
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"spacegroup": 14
},
{
"id": "mp-1235261",
"created_at": "2022-09-04T14:46:23.983832Z",
"structure_string": "Li1 La2 Co2 Sb2 Pb2 O12\n1.0\n5.711017 0.073678 -0.019469\n0.074760 6.073223 -0.119110\n-0.028675 -0.184967 8.213823\nLi La Co Sb Pb O\n1 2 2 2 2 12\ndirect\n0.098133 0.215693 0.616159 Li\n0.528536 0.435581 0.739722 La\n0.015420 0.057192 0.246423 La\n0.002310 0.568910 0.483009 Co\n0.487150 0.985203 0.001347 Co\n0.999424 0.480409 0.002931 Sb\n0.510586 0.988139 0.490596 Sb\n0.492735 0.522596 0.249180 Pb\n0.965830 0.904372 0.794245 Pb\n0.608986 0.958332 0.255366 O\n0.099991 0.499715 0.723408 O\n0.402767 0.048043 0.722874 O\n0.927640 0.466327 0.249897 O\n0.217560 0.815786 0.431968 O\n0.691848 0.695705 0.941208 O\n0.781987 0.188674 0.535779 O\n0.275311 0.262765 0.043132 O\n0.306395 0.260957 0.441082 O\n0.772741 0.212967 0.961703 O\n0.679637 0.701651 0.543437 O\n0.182631 0.793484 0.034867 O\n",
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"formula_full": "Li1 La2 Co2 Sb2 Pb2 O12",
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{
"id": "mp-764870",
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"structure_string": "Li12 Mn4 Fe4 Co4 P12 O48\n1.0\n10.470692 0.000000 0.014114\n0.000000 6.098325 0.000000\n0.019259 0.000000 14.317688\nLi Mn Fe Co P O\n12 4 4 4 12 48\ndirect\n0.998155 0.500431 0.666922 Li\n0.999910 0.000585 0.000032 Li\n0.999910 0.499415 0.000032 Li\n0.999341 0.001119 0.333341 Li\n0.999341 0.498881 0.333341 Li\n0.998155 0.999569 0.666922 Li\n0.500874 0.000102 0.500577 Li\n0.500874 0.499898 0.500577 Li\n0.501277 0.001537 0.166794 Li\n0.501277 0.498463 0.166794 Li\n0.500782 0.000442 0.833235 Li\n0.500782 0.499558 0.833235 Li\n0.218341 0.750000 0.159865 Mn\n0.218559 0.750000 0.493105 Mn\n0.281791 0.250000 0.659536 Mn\n0.719744 0.750000 0.007094 Mn\n0.217835 0.750000 0.825184 Fe\n0.280429 0.250000 0.992821 Fe\n0.281485 0.250000 0.325750 Fe\n0.720019 0.750000 0.341349 Fe\n0.720047 0.750000 0.673318 Co\n0.781146 0.250000 0.839209 Co\n0.779533 0.250000 0.507353 Co\n0.780317 0.250000 0.173158 Co\n0.093183 0.250000 0.807472 P\n0.093562 0.250000 0.138249 P\n0.092664 0.250000 0.471406 P\n0.407476 0.750000 0.306263 P\n0.407907 0.750000 0.639670 P\n0.404749 0.750000 0.971837 P\n0.595373 0.250000 0.360536 P\n0.594054 0.250000 0.028222 P\n0.597376 0.250000 0.694382 P\n0.905674 0.750000 0.859357 P\n0.904349 0.750000 0.194651 P\n0.903348 0.750000 0.527543 P\n0.040872 0.750000 0.237025 O\n0.040044 0.750000 0.569558 O\n0.042243 0.750000 0.901469 O\n0.095934 0.250000 0.578794 O\n0.096751 0.250000 0.914192 O\n0.097469 0.250000 0.245982 O\n0.163978 0.049287 0.093065 O\n0.163978 0.450713 0.093065 O\n0.163439 0.049082 0.426280 O\n0.163439 0.450918 0.426280 O\n0.163897 0.046918 0.763234 O\n0.163897 0.453082 0.763234 O\n0.337861 0.548552 0.594675 O\n0.337861 0.951448 0.594675 O\n0.336454 0.547189 0.263025 O\n0.336454 0.952811 0.263025 O\n0.333837 0.547134 0.928275 O\n0.333837 0.952866 0.928275 O\n0.405621 0.750000 0.413811 O\n0.404252 0.750000 0.079187 O\n0.402973 0.750000 0.746914 O\n0.457748 0.250000 0.402004 O\n0.456297 0.250000 0.067839 O\n0.460458 0.250000 0.736474 O\n0.544294 0.750000 0.263955 O\n0.541724 0.750000 0.929615 O\n0.546031 0.750000 0.599040 O\n0.597780 0.250000 0.253396 O\n0.598353 0.250000 0.920604 O\n0.597888 0.250000 0.586605 O\n0.664467 0.049132 0.073923 O\n0.666193 0.047581 0.405284 O\n0.668026 0.046737 0.738465 O\n0.668026 0.453263 0.738465 O\n0.664467 0.450868 0.073923 O\n0.666193 0.452419 0.405284 O\n0.835153 0.545804 0.903474 O\n0.835153 0.954196 0.903474 O\n0.833136 0.546033 0.238229 O\n0.832141 0.546862 0.571895 O\n0.833136 0.953967 0.238229 O\n0.832141 0.953138 0.571895 O\n0.903342 0.750000 0.751852 O\n0.902883 0.750000 0.420362 O\n0.904878 0.750000 0.087415 O\n0.956044 0.250000 0.764998 O\n0.954923 0.250000 0.098780 O\n0.954394 0.250000 0.431344 O\n",
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{
"id": "mp-1223573",
"created_at": "2022-09-04T14:47:25.201056Z",
"structure_string": "K2 Ba2 V4 Cu2 Cl2 O14\n1.0\n6.305089 -6.415007 0.000000\n6.305089 6.415007 0.000000\n0.000000 0.000000 5.620397\nK Ba V Cu Cl O\n2 2 4 2 2 14\ndirect\n0.327216 0.327216 0.832569 K\n0.672784 0.672784 0.832569 K\n0.821332 0.178668 0.838314 Ba\n0.178668 0.821332 0.838314 Ba\n0.132664 0.132664 0.300047 V\n0.867336 0.867336 0.300047 V\n0.631207 0.368793 0.299706 V\n0.368793 0.631207 0.299706 V\n0.500000 0.000000 0.224488 Cu\n0.000000 0.500000 0.224488 Cu\n0.500000 0.000000 0.692469 Cl\n0.000000 0.500000 0.692469 Cl\n0.118993 0.118993 0.601773 O\n0.881007 0.881007 0.601773 O\n0.630027 0.369973 0.600873 O\n0.369973 0.630027 0.600873 O\n0.302639 0.084900 0.186256 O\n0.697361 0.915100 0.186256 O\n0.804727 0.408576 0.181764 O\n0.195273 0.591424 0.181764 O\n0.408576 0.804727 0.181764 O\n0.591424 0.195273 0.181764 O\n0.084900 0.302639 0.186256 O\n0.915100 0.697361 0.186256 O\n0.000000 0.000000 0.157648 O\n0.500000 0.500000 0.171795 O\n",
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"formula_full": "K2 Ba2 V4 Cu2 Cl2 O14",
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}
]
}