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{
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{
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{
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"structure_string": "Sr1 Ca1 Nd1 Sb1 O6\n1.0\n-0.000000 -4.271667 -4.271667\n4.271667 0.000000 -4.271667\n4.271667 -4.271667 -0.000000\nSr Ca Nd Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ca\n-0.000000 0.000000 -0.000000 Nd\n0.500000 0.500000 0.500000 Sb\n0.732785 0.267215 0.267215 O\n0.267215 0.732785 0.732785 O\n0.732785 0.267215 0.732785 O\n0.267215 0.732785 0.267215 O\n0.732785 0.732785 0.267215 O\n0.267215 0.267215 0.732785 O\n",
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"formula_full": "Sr1 Ca1 Nd1 Sb1 O6",
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{
"id": "mp-891027",
"created_at": "2022-09-04T14:40:26.652277Z",
"structure_string": "Tb4 Ce4 O16\n1.0\n0.000000 5.473635 5.473635\n5.473635 0.000000 5.473635\n5.473635 5.473635 0.000000\nTb Ce O\n4 4 16\ndirect\n0.125000 0.625000 0.625000 Tb\n0.625000 0.625000 0.625000 Tb\n0.625000 0.625000 0.125000 Tb\n0.625000 0.125000 0.625000 Tb\n0.125000 0.125000 0.125000 Ce\n0.625000 0.125000 0.125000 Ce\n0.125000 0.625000 0.125000 Ce\n0.125000 0.125000 0.625000 Ce\n0.007559 0.492441 0.492441 O\n0.757559 0.757559 0.242441 O\n0.251335 0.748665 0.251335 O\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.251335 0.251335 0.748665 O\n0.757559 0.242441 0.757559 O\n0.007559 0.007559 0.492441 O\n0.007559 0.492441 0.007559 O\n0.750000 0.750000 0.750000 O\n0.242441 0.757559 0.757559 O\n0.492441 0.492441 0.007559 O\n0.250000 0.250000 0.250000 O\n0.757559 0.242441 0.242441 O\n0.492441 0.007559 0.492441 O\n0.492441 0.007559 0.007559 O\n",
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"formula_full": "Tb4 Ce4 O16",
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{
"id": "mp-1177684",
"created_at": "2022-09-04T14:40:24.266787Z",
"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n9.045087 -0.055235 0.047919\n4.025088 -7.467678 0.002740\n3.892100 2.040104 -14.033540\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.150125 0.249951 0.330833 Li\n0.150009 0.799801 0.134572 Li\n0.144854 0.298912 0.633674 Li\n0.145538 0.729310 0.461133 Li\n0.148811 0.226698 0.960613 Li\n0.150259 0.750397 0.830294 Li\n0.853756 0.249235 0.165750 Li\n0.853369 0.774191 0.038955 Li\n0.852463 0.278577 0.538337 Li\n0.852052 0.698645 0.367099 Li\n0.850844 0.202556 0.868191 Li\n0.851986 0.742929 0.667931 Li\n0.044950 0.979337 0.325935 Mn\n0.558709 0.218849 0.072891 Mn\n0.560726 0.715516 0.573088 Mn\n0.953776 0.524400 0.174547 Mn\n0.047280 0.473951 0.826324 V\n0.440905 0.279867 0.428766 V\n0.439249 0.782923 0.926568 V\n0.951879 0.022842 0.673856 V\n0.253269 0.084163 0.122447 P\n0.252761 0.018258 0.481931 P\n0.249152 0.520511 0.274489 P\n0.251774 0.017073 0.768806 P\n0.248529 0.580398 0.624931 P\n0.251987 0.523862 0.979010 P\n0.750193 0.477649 0.018753 P\n0.747483 0.413109 0.376327 P\n0.744821 0.988254 0.231089 P\n0.748154 0.481744 0.729627 P\n0.752138 0.978195 0.521639 P\n0.753071 0.914287 0.871912 P\n0.095743 0.253904 0.100668 O\n0.202482 0.066843 0.228816 O\n0.098795 0.628478 0.072827 O\n0.098690 0.116018 0.578376 O\n0.092641 0.484158 0.280461 O\n0.423154 0.093458 0.092233 O\n0.272683 0.174453 0.434101 O\n0.192362 0.720569 0.259888 O\n0.192462 0.217405 0.753282 O\n0.277793 0.488386 0.376665 O\n0.414988 0.396555 0.197687 O\n0.093777 0.757870 0.603566 O\n0.275434 0.920573 0.059814 O\n0.265926 0.421668 0.560427 O\n0.574852 0.125278 0.309014 O\n0.189176 0.561699 0.731424 O\n0.200052 0.921221 0.419533 O\n0.196489 0.424470 0.917027 O\n0.719335 0.012421 0.130014 O\n0.580126 0.609048 0.996067 O\n0.578573 0.116163 0.498579 O\n0.099075 0.975192 0.767154 O\n0.731828 0.322091 0.066529 O\n0.577733 0.401205 0.410471 O\n0.417101 0.586451 0.601202 O\n0.276985 0.672455 0.925950 O\n0.900023 0.025906 0.227064 O\n0.426399 0.884811 0.500519 O\n0.424377 0.386201 0.997681 O\n0.268245 0.995268 0.871321 O\n0.798379 0.581166 0.080234 O\n0.801755 0.086018 0.581408 O\n0.792158 0.432285 0.271096 O\n0.421878 0.888231 0.694041 O\n0.730593 0.571109 0.439840 O\n0.741966 0.069202 0.932005 O\n0.906148 0.238911 0.396629 O\n0.580630 0.611216 0.805357 O\n0.729498 0.507805 0.627060 O\n0.793982 0.795017 0.251508 O\n0.805803 0.281409 0.744487 O\n0.728470 0.833106 0.574476 O\n0.582958 0.905126 0.898071 O\n0.903592 0.518780 0.729591 O\n0.900827 0.878591 0.426386 O\n0.905022 0.380268 0.921997 O\n0.807995 0.929861 0.763935 O\n0.906180 0.735287 0.893200 O\n",
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"volume": 946.5217345516936,
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"formula_full": "Li12 Mn4 V4 P12 O48",
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{
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"structure_string": "Mg8 Ti4 O16\n1.0\n6.051690 0.000000 0.000000\n0.000000 6.051690 0.000000\n0.000000 0.000000 8.487600\nMg Ti O\n8 4 16\ndirect\n0.000000 0.248749 0.000000 Mg\n0.000000 0.751251 0.500000 Mg\n0.248749 0.000000 0.750000 Mg\n0.252579 0.252579 0.375000 Mg\n0.252579 0.747421 0.125000 Mg\n0.747421 0.252579 0.625000 Mg\n0.747421 0.747421 0.875000 Mg\n0.751251 0.000000 0.250000 Mg\n0.236001 0.500000 0.750000 Ti\n0.500000 0.236001 0.000000 Ti\n0.500000 0.763999 0.500000 Ti\n0.763999 0.500000 0.250000 Ti\n0.026516 0.263255 0.752101 O\n0.026516 0.736745 0.747899 O\n0.260877 0.483015 0.982866 O\n0.260877 0.516985 0.517134 O\n0.263255 0.026516 0.997899 O\n0.263255 0.973484 0.502101 O\n0.483015 0.260877 0.767134 O\n0.483015 0.739123 0.732866 O\n0.516985 0.260877 0.232866 O\n0.516985 0.739123 0.267134 O\n0.736745 0.973484 0.497899 O\n0.736745 0.026516 0.002101 O\n0.739123 0.483015 0.017134 O\n0.739123 0.516985 0.482866 O\n0.973484 0.263255 0.247899 O\n0.973484 0.736745 0.252101 O\n",
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{
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"structure_string": "Tl8 H4 Pt4 C20 N20 O4\n1.0\n20.629450 0.000000 0.000000\n0.000000 6.781692 0.000000\n0.000000 4.018612 8.287683\nTl H Pt C N O\n8 4 4 20 20 4\ndirect\n0.281712 0.735393 0.823590 Tl\n0.781712 0.264607 0.676410 Tl\n0.218288 0.735393 0.323590 Tl\n0.417844 0.360190 0.708729 Tl\n0.917844 0.639810 0.791271 Tl\n0.582156 0.639810 0.291271 Tl\n0.082156 0.360190 0.208729 Tl\n0.718288 0.264607 0.176410 Tl\n0.084204 0.586799 0.446556 H\n0.584204 0.413201 0.053444 H\n0.415796 0.586799 0.946556 H\n0.915796 0.413201 0.553444 H\n0.119474 0.228581 0.692319 Pt\n0.380526 0.228581 0.192319 Pt\n0.880526 0.771419 0.307681 Pt\n0.619474 0.771419 0.807681 Pt\n0.085928 0.432238 0.782833 C\n0.212103 0.320678 0.703304 C\n0.126159 0.986628 0.913551 C\n0.414072 0.432238 0.282833 C\n0.287897 0.320678 0.203304 C\n0.373841 0.986628 0.413551 C\n0.026907 0.154255 0.667360 C\n0.973093 0.845745 0.332640 C\n0.526907 0.845745 0.832640 C\n0.585928 0.567762 0.717167 C\n0.348568 0.031510 0.094657 C\n0.712103 0.679322 0.796696 C\n0.626159 0.013372 0.586449 C\n0.651432 0.968490 0.905343 C\n0.151432 0.031510 0.594657 C\n0.473093 0.154255 0.167360 C\n0.787897 0.679322 0.296696 C\n0.914072 0.567762 0.217167 C\n0.873841 0.013372 0.086449 C\n0.848568 0.968490 0.405343 C\n0.472588 0.876380 0.853461 N\n0.527412 0.123620 0.146539 N\n0.867487 0.153115 0.955089 N\n0.765540 0.619808 0.798172 N\n0.367487 0.846885 0.544911 N\n0.171454 0.931633 0.528058 N\n0.671454 0.068367 0.971942 N\n0.132513 0.846885 0.044911 N\n0.972588 0.123620 0.646539 N\n0.437323 0.540065 0.339908 N\n0.265540 0.380192 0.701828 N\n0.632513 0.153115 0.455089 N\n0.734460 0.619808 0.298172 N\n0.234460 0.380192 0.201828 N\n0.937323 0.459935 0.160092 N\n0.562677 0.459935 0.660092 N\n0.027412 0.876380 0.353461 N\n0.328546 0.931633 0.028058 N\n0.062677 0.540065 0.839908 N\n0.828546 0.068367 0.471942 N\n0.384073 0.473702 0.954589 O\n0.884073 0.526298 0.545411 O\n0.115927 0.473702 0.454589 O\n0.615927 0.526298 0.045411 O\n",
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{
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"structure_string": "Fe12 B2 C2\n1.0\n4.448791 0.000000 0.000000\n0.000000 5.212183 0.000000\n0.000000 0.000000 6.660296\nFe B C\n12 2 2\ndirect\n0.618311 0.522871 0.000000 Fe\n0.381689 0.022871 0.000000 Fe\n0.907483 0.464547 0.500000 Fe\n0.092517 0.964547 0.500000 Fe\n0.095385 0.679061 0.806532 Fe\n0.904615 0.179061 0.193468 Fe\n0.412142 0.325190 0.314846 Fe\n0.587858 0.825190 0.685154 Fe\n0.412142 0.325190 0.685154 Fe\n0.587858 0.825190 0.314846 Fe\n0.095385 0.679061 0.193468 Fe\n0.904615 0.179061 0.806532 Fe\n0.819559 0.881462 0.000000 B\n0.180441 0.381462 0.000000 B\n0.685320 0.122618 0.500000 C\n0.314680 0.622618 0.500000 C\n",
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{
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