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{
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"structure_string": "Ti3 Nb2 Cr1 P6 O24\n1.0\n7.459053 -4.354979 0.000000\n7.459053 4.354979 0.000000\n4.916391 0.000000 7.101577\nTi Nb Cr P O\n3 2 1 6 24\ndirect\n0.143198 0.143198 0.143198 Ti\n0.357851 0.357851 0.357851 Ti\n0.641007 0.641007 0.641007 Ti\n0.002082 0.002082 0.002082 Nb\n0.500061 0.500061 0.500061 Nb\n0.856001 0.856001 0.856001 Cr\n0.749315 0.039104 0.462140 P\n0.039104 0.462140 0.749315 P\n0.542463 0.246233 0.961276 P\n0.961276 0.542463 0.246233 P\n0.246233 0.961276 0.542463 P\n0.462140 0.749315 0.039104 P\n0.309151 0.118128 0.502911 O\n0.502911 0.309151 0.118128 O\n0.911993 0.057989 0.265801 O\n0.118128 0.502911 0.309151 O\n0.807515 0.008252 0.616396 O\n0.588198 0.235943 0.439973 O\n0.057989 0.265801 0.911993 O\n0.235942 0.439973 0.588198 O\n0.383723 0.185746 0.999960 O\n0.439973 0.588198 0.235943 O\n0.737920 0.086577 0.943457 O\n0.999960 0.383723 0.185746 O\n0.008252 0.616396 0.807515 O\n0.265801 0.911993 0.057989 O\n0.557318 0.408340 0.766603 O\n0.616396 0.807515 0.008252 O\n0.766603 0.557318 0.408340 O\n0.943457 0.737920 0.086577 O\n0.408340 0.766603 0.557318 O\n0.185746 0.999960 0.383723 O\n0.883022 0.495929 0.688421 O\n0.086577 0.943457 0.737920 O\n0.495929 0.688421 0.883022 O\n0.688421 0.883022 0.495929 O\n",
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{
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"formula_full": "Co4 Cu1 Ni1 S8",
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{
"id": "mp-1100395",
"created_at": "2022-09-04T14:39:47.463924Z",
"structure_string": "Ba1 Br1 Cl1\n1.0\n0.000000 3.810037 3.810037\n3.810037 0.000000 3.810037\n3.810037 3.810037 0.000000\nBa Br Cl\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.500000 Cl\n",
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{
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"structure_string": "Tm2 C1 N2 O2\n1.0\n1.832050 -3.173204 0.000000\n1.832050 3.173204 0.000000\n0.000000 0.000000 8.134802\nTm C N O\n2 1 2 2\ndirect\n0.666667 0.333333 0.824191 Tm\n0.333333 0.666667 0.175809 Tm\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.651899 N\n0.000000 0.000000 0.348101 N\n0.333333 0.666667 0.897370 O\n0.666667 0.333333 0.102630 O\n",
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{
"id": "mp-1196171",
"created_at": "2022-09-04T14:39:46.820516Z",
"structure_string": "Li8 Sc8 H16 Se16 O56\n1.0\n5.608259 0.000000 0.000000\n0.000000 16.043681 0.000000\n0.000000 7.845050 15.722274\nLi Sc H Se O\n8 8 16 16 56\ndirect\n0.692642 0.174140 0.782807 Li\n0.692642 0.325860 0.217193 Li\n0.307358 0.825860 0.217193 Li\n0.307358 0.674140 0.782807 Li\n0.815110 0.550118 0.812135 Li\n0.815110 0.949882 0.187865 Li\n0.184890 0.449882 0.187865 Li\n0.184890 0.050118 0.812135 Li\n0.565975 0.250000 0.500000 Sc\n0.434025 0.750000 0.500000 Sc\n0.001194 0.372208 0.756269 Sc\n0.001194 0.127792 0.243731 Sc\n0.998806 0.627792 0.243731 Sc\n0.998806 0.872208 0.756269 Sc\n0.500000 0.500000 0.000000 Sc\n0.500000 0.000000 0.000000 Sc\n0.072126 0.655999 0.676075 H\n0.072126 0.844001 0.323925 H\n0.927874 0.344001 0.323925 H\n0.927874 0.155999 0.676075 H\n0.912572 0.713252 0.710095 H\n0.912572 0.786748 0.289905 H\n0.087428 0.286748 0.289905 H\n0.087428 0.213252 0.710095 H\n0.420017 0.541570 0.754152 H\n0.420017 0.958430 0.245848 H\n0.579983 0.458430 0.245848 H\n0.579983 0.041570 0.754152 H\n0.569670 0.623947 0.685519 H\n0.569670 0.876053 0.314481 H\n0.430330 0.376053 0.314481 H\n0.430330 0.123947 0.685519 H\n0.499526 0.368158 0.641402 Se\n0.499526 0.131842 0.358598 Se\n0.500474 0.631842 0.358598 Se\n0.500474 0.868158 0.641402 Se\n0.933880 0.598704 0.560291 Se\n0.933880 0.901296 0.439709 Se\n0.066120 0.401296 0.439709 Se\n0.066120 0.098704 0.560291 Se\n0.997965 0.133854 0.941613 Se\n0.997965 0.366146 0.058387 Se\n0.002035 0.866146 0.058387 Se\n0.002035 0.633854 0.941613 Se\n0.505673 0.364880 0.874199 Se\n0.505673 0.135120 0.125801 Se\n0.494327 0.635120 0.125801 Se\n0.494327 0.864880 0.874199 Se\n0.561663 0.307626 0.585005 O\n0.561663 0.192374 0.414995 O\n0.438337 0.692374 0.414995 O\n0.438337 0.807626 0.585005 O\n0.689404 0.652226 0.578808 O\n0.689404 0.847774 0.421192 O\n0.310596 0.347774 0.421192 O\n0.310596 0.152226 0.578808 O\n0.163592 0.657974 0.579850 O\n0.163592 0.842026 0.420150 O\n0.836408 0.342026 0.420150 O\n0.836408 0.157974 0.579850 O\n0.939329 0.496249 0.651881 O\n0.939329 0.003751 0.348119 O\n0.060671 0.503751 0.348119 O\n0.060671 0.996249 0.651881 O\n0.048679 0.241370 0.859889 O\n0.048679 0.258630 0.140111 O\n0.951321 0.758630 0.140111 O\n0.951321 0.741370 0.859889 O\n0.305248 0.427147 0.792653 O\n0.305248 0.072853 0.207347 O\n0.694752 0.572853 0.207347 O\n0.694752 0.927147 0.792653 O\n0.225198 0.323264 0.685491 O\n0.225198 0.176736 0.314509 O\n0.774802 0.676736 0.314509 O\n0.774802 0.823264 0.685491 O\n0.687966 0.312810 0.728718 O\n0.687966 0.187190 0.271282 O\n0.312034 0.687190 0.271282 O\n0.312034 0.812810 0.728718 O\n0.776024 0.416902 0.830764 O\n0.776024 0.083098 0.169236 O\n0.223976 0.583098 0.169236 O\n0.223976 0.916902 0.830764 O\n0.454760 0.413423 0.941887 O\n0.454760 0.086577 0.058113 O\n0.545240 0.586577 0.058113 O\n0.545240 0.913423 0.941887 O\n0.201200 0.064269 0.920079 O\n0.201200 0.435731 0.079921 O\n0.798800 0.935731 0.079921 O\n0.798800 0.564269 0.920079 O\n0.735692 0.102867 0.908330 O\n0.735692 0.397133 0.091670 O\n0.264308 0.897133 0.091670 O\n0.264308 0.602867 0.908330 O\n0.010106 0.655682 0.729392 O\n0.010106 0.844318 0.270608 O\n0.989894 0.344318 0.270608 O\n0.989894 0.155682 0.729392 O\n0.510909 0.598792 0.744772 O\n0.510909 0.901208 0.255228 O\n0.489091 0.401208 0.255228 O\n0.489091 0.098792 0.744772 O\n",
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{
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"structure_string": "Th8 P16 H16 O64\n1.0\n8.756778 0.000000 0.000000\n0.000000 9.576940 0.000000\n0.000000 0.000000 19.532075\nTh P H O\n8 16 16 64\ndirect\n0.485814 0.866478 0.127626 Th\n0.985814 0.633522 0.872374 Th\n0.514186 0.366478 0.372374 Th\n0.014186 0.133522 0.627626 Th\n0.514186 0.133522 0.872374 Th\n0.014186 0.366478 0.127626 Th\n0.485814 0.633522 0.627626 Th\n0.985814 0.866478 0.372374 Th\n0.762830 0.095475 0.033460 P\n0.262830 0.404525 0.966540 P\n0.237170 0.595475 0.466540 P\n0.737170 0.904525 0.533460 P\n0.237170 0.904525 0.966540 P\n0.737170 0.595475 0.033460 P\n0.762830 0.404525 0.533460 P\n0.262830 0.095475 0.466540 P\n0.085501 0.986160 0.187263 P\n0.585501 0.513840 0.812737 P\n0.914499 0.486160 0.312737 P\n0.414499 0.013840 0.687263 P\n0.914499 0.013840 0.812737 P\n0.414499 0.486160 0.187263 P\n0.085501 0.513840 0.687263 P\n0.585501 0.986160 0.312737 P\n0.864507 0.992961 0.008281 H\n0.364507 0.507039 0.991719 H\n0.135493 0.492961 0.491719 H\n0.635493 0.007039 0.508281 H\n0.135493 0.007039 0.991719 H\n0.635493 0.492961 0.008281 H\n0.864507 0.507039 0.508281 H\n0.364507 0.992961 0.491719 H\n0.979158 0.918921 0.144273 H\n0.479158 0.581079 0.855727 H\n0.020842 0.418921 0.355727 H\n0.520842 0.081079 0.644273 H\n0.020842 0.081079 0.855727 H\n0.520842 0.418921 0.144273 H\n0.979158 0.581079 0.644273 H\n0.479158 0.918921 0.355727 H\n0.443088 0.122471 0.100448 O\n0.943088 0.377529 0.899552 O\n0.556912 0.622471 0.399552 O\n0.056912 0.877529 0.600448 O\n0.556912 0.877529 0.899552 O\n0.056912 0.622471 0.100448 O\n0.443088 0.377529 0.600448 O\n0.943088 0.122471 0.399552 O\n0.687960 0.740332 0.191526 O\n0.187960 0.759668 0.808474 O\n0.312040 0.240332 0.308474 O\n0.812040 0.259668 0.691526 O\n0.312040 0.259668 0.808474 O\n0.812040 0.240332 0.191526 O\n0.687960 0.759668 0.691526 O\n0.187960 0.740332 0.308474 O\n0.353054 0.873175 0.023411 O\n0.853054 0.626825 0.976589 O\n0.646946 0.373175 0.476589 O\n0.146946 0.126825 0.523411 O\n0.646946 0.126825 0.976589 O\n0.146946 0.373175 0.023411 O\n0.353054 0.626825 0.523411 O\n0.853054 0.873175 0.476589 O\n0.684932 0.021582 0.095233 O\n0.184932 0.478418 0.904767 O\n0.315068 0.521582 0.404767 O\n0.815068 0.978418 0.595233 O\n0.315068 0.978418 0.904767 O\n0.815068 0.521582 0.095233 O\n0.684932 0.478418 0.595233 O\n0.184932 0.021582 0.404767 O\n0.855715 0.222579 0.054838 O\n0.355715 0.277421 0.945162 O\n0.144285 0.722579 0.445162 O\n0.644285 0.777421 0.554838 O\n0.144285 0.777421 0.945162 O\n0.644285 0.722579 0.054838 O\n0.855715 0.277421 0.554838 O\n0.355715 0.222579 0.445162 O\n0.430600 0.644562 0.171623 O\n0.930600 0.855438 0.828377 O\n0.569400 0.144562 0.328377 O\n0.069400 0.355438 0.671623 O\n0.569400 0.355438 0.828377 O\n0.069400 0.144562 0.171623 O\n0.430600 0.855438 0.671623 O\n0.930600 0.644562 0.328377 O\n0.243792 0.934633 0.167198 O\n0.743792 0.565367 0.832802 O\n0.756208 0.434633 0.332802 O\n0.256208 0.065367 0.667198 O\n0.756208 0.065367 0.832802 O\n0.256208 0.434633 0.167198 O\n0.243792 0.565367 0.667198 O\n0.743792 0.934633 0.332802 O\n0.044039 0.952665 0.261831 O\n0.544039 0.547335 0.738169 O\n0.955961 0.452665 0.238169 O\n0.455961 0.047335 0.761831 O\n0.955961 0.047335 0.738169 O\n0.455961 0.452665 0.261831 O\n0.044039 0.547335 0.761831 O\n0.544039 0.952665 0.238169 O\n",
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{
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