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{
"id": "mp-775365",
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"structure_string": "Al12 H32 C10 Cl24 O12\n1.0\n8.989792 0.000000 0.000000\n-3.849116 9.406443 0.000000\n-0.544240 -3.636188 18.863365\nAl H C Cl O\n12 32 10 24 12\ndirect\n0.122180 0.787596 0.966071 Al\n0.030840 0.583828 0.802408 Al\n0.203311 0.951310 0.344710 Al\n0.378698 0.678002 0.888258 Al\n0.575102 0.987275 0.343227 Al\n0.525401 0.724927 0.629955 Al\n0.474599 0.275073 0.370045 Al\n0.424898 0.012725 0.656773 Al\n0.621302 0.321998 0.111742 Al\n0.796689 0.048690 0.655290 Al\n0.969160 0.416172 0.197592 Al\n0.877820 0.212404 0.033929 Al\n0.061671 0.916763 0.826428 H\n0.216647 0.669081 0.359361 H\n0.118621 0.319091 0.820483 H\n0.168582 0.386823 0.739492 H\n0.338885 0.772696 0.440819 H\n0.327352 0.803881 0.076649 H\n0.110216 0.228272 0.409813 H\n0.128870 0.236755 0.192544 H\n0.076707 0.123885 0.106548 H\n0.292956 0.615518 0.051271 H\n0.122123 0.112464 0.469380 H\n0.428859 0.711096 0.366364 H\n0.326503 0.407467 0.804403 H\n0.275306 0.290905 0.478764 H\n0.482275 0.754167 0.038586 H\n0.517725 0.245833 0.961414 H\n0.724694 0.709095 0.521236 H\n0.673497 0.592533 0.195597 H\n0.571141 0.288904 0.633636 H\n0.877877 0.887536 0.530620 H\n0.707044 0.384482 0.948729 H\n0.923293 0.876115 0.893452 H\n0.871130 0.763245 0.807456 H\n0.889784 0.771728 0.590187 H\n0.672648 0.196119 0.923351 H\n0.661115 0.227304 0.559181 H\n0.831418 0.613177 0.260508 H\n0.881379 0.680909 0.179517 H\n0.783353 0.330919 0.640639 H\n0.938329 0.083237 0.173572 H\n0.438281 0.845540 0.729347 H\n0.561719 0.154460 0.270653 H\n0.028761 0.169422 0.152024 C\n0.203888 0.404114 0.796324 C\n0.334764 0.750447 0.383096 C\n0.351492 0.723319 0.038448 C\n0.191513 0.196930 0.440917 C\n0.808487 0.803070 0.559083 C\n0.648508 0.276681 0.961552 C\n0.665236 0.249553 0.616904 C\n0.796112 0.595886 0.203676 C\n0.971239 0.830578 0.847976 C\n0.160934 0.955780 0.236080 Cl\n0.066575 0.645822 0.701911 Cl\n0.278291 0.958408 0.559800 Cl\n0.060558 0.322792 0.972861 Cl\n0.003165 0.176279 0.610994 Cl\n0.189925 0.591609 0.196536 Cl\n0.458858 0.868980 0.842275 Cl\n0.368437 0.598873 0.538458 Cl\n0.224260 0.016090 0.997212 Cl\n0.425427 0.397950 0.300164 Cl\n0.549856 0.592130 0.910483 Cl\n0.351098 0.117681 0.745137 Cl\n0.648902 0.882319 0.254863 Cl\n0.450144 0.407870 0.089517 Cl\n0.574573 0.602050 0.699836 Cl\n0.775740 0.983910 0.002788 Cl\n0.631563 0.401127 0.461542 Cl\n0.541142 0.131020 0.157725 Cl\n0.810075 0.408391 0.803464 Cl\n0.996835 0.823721 0.389006 Cl\n0.939442 0.677208 0.027139 Cl\n0.721709 0.041592 0.440200 Cl\n0.933425 0.354178 0.298089 Cl\n0.839066 0.044220 0.763920 Cl\n0.049334 0.737582 0.871723 O\n0.284885 0.721752 0.966752 O\n0.203508 0.545567 0.830951 O\n0.364853 0.886209 0.356670 O\n0.452190 0.854606 0.678377 O\n0.287996 0.140722 0.392539 O\n0.712004 0.859278 0.607461 O\n0.547810 0.145394 0.321623 O\n0.635147 0.113791 0.643330 O\n0.796492 0.454433 0.169049 O\n0.715115 0.278248 0.033248 O\n0.950666 0.262418 0.128277 O\n",
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"elements": [
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],
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"density": 1.5812985518886653,
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"volume": 1595.1232303387746,
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"formula_full": "Al12 H32 C10 Cl24 O12",
"formula_reduced": "Al6H16C5(Cl2O)6",
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},
{
"id": "mp-1202937",
"created_at": "2022-09-04T14:43:56.045396Z",
"structure_string": "Al12 H96 C24 N12\n1.0\n9.152542 0.000000 0.000000\n0.000000 6.955792 0.000000\n0.000000 1.395327 26.729208\nAl H C N\n12 96 24 12\ndirect\n0.582326 0.626754 0.078008 Al\n0.082326 0.373246 0.421992 Al\n0.417674 0.373246 0.921992 Al\n0.917674 0.626754 0.578008 Al\n0.927610 0.732611 0.099543 Al\n0.427610 0.267389 0.400457 Al\n0.072390 0.267389 0.900457 Al\n0.572390 0.732611 0.599543 Al\n0.690018 0.697123 0.193046 Al\n0.190018 0.302877 0.306954 Al\n0.309982 0.302877 0.806954 Al\n0.809982 0.697123 0.693046 Al\n0.616093 0.401944 0.088107 H\n0.116093 0.598056 0.411893 H\n0.383907 0.598056 0.911893 H\n0.883907 0.401944 0.588107 H\n0.451656 0.693655 0.041286 H\n0.951656 0.306345 0.458714 H\n0.548344 0.306345 0.958714 H\n0.048344 0.693655 0.541286 H\n0.966663 0.508361 0.106222 H\n0.466663 0.491639 0.393778 H\n0.033337 0.491639 0.893778 H\n0.533337 0.508361 0.606222 H\n0.051132 0.882448 0.080124 H\n0.551132 0.117552 0.419876 H\n0.948868 0.117552 0.919876 H\n0.448868 0.882448 0.580124 H\n0.640336 0.817667 0.239702 H\n0.140336 0.182333 0.260298 H\n0.359664 0.182333 0.760298 H\n0.859664 0.817667 0.739702 H\n0.724976 0.472036 0.201241 H\n0.224976 0.527964 0.298759 H\n0.275024 0.527964 0.798759 H\n0.775024 0.472036 0.701241 H\n0.369170 0.919877 0.115116 H\n0.869170 0.080123 0.384884 H\n0.630830 0.080123 0.884884 H\n0.130830 0.919877 0.615116 H\n0.541939 0.026820 0.126816 H\n0.041939 0.973180 0.373184 H\n0.458061 0.973180 0.873184 H\n0.958061 0.026820 0.626816 H\n0.426102 0.956534 0.177866 H\n0.926102 0.043466 0.322134 H\n0.573898 0.043466 0.822134 H\n0.073898 0.956534 0.677866 H\n0.321242 0.587861 0.137077 H\n0.821242 0.412139 0.362923 H\n0.678758 0.412139 0.862923 H\n0.178758 0.587861 0.637077 H\n0.373990 0.630223 0.199723 H\n0.873990 0.369777 0.300277 H\n0.626010 0.369777 0.800277 H\n0.126010 0.630223 0.699723 H\n0.456803 0.439040 0.167764 H\n0.956803 0.560960 0.332236 H\n0.543197 0.560960 0.832236 H\n0.043197 0.439040 0.667764 H\n0.901947 0.714350 0.990473 H\n0.401947 0.285650 0.509527 H\n0.098053 0.285650 0.009527 H\n0.598053 0.714350 0.490473 H\n0.715915 0.652316 0.980592 H\n0.215915 0.347684 0.519408 H\n0.284085 0.347684 0.019408 H\n0.784085 0.652316 0.480592 H\n0.828726 0.496378 0.019032 H\n0.328726 0.503622 0.480968 H\n0.171274 0.503622 0.980968 H\n0.671274 0.496378 0.519032 H\n0.835536 0.020147 0.017010 H\n0.335536 0.979853 0.482990 H\n0.164464 0.979853 0.982990 H\n0.664464 0.020147 0.517010 H\n0.702442 0.049508 0.064552 H\n0.202442 0.950492 0.435448 H\n0.297558 0.950492 0.935448 H\n0.797558 0.049508 0.564552 H\n0.648895 0.964524 0.005665 H\n0.148895 0.035476 0.494335 H\n0.351105 0.035476 0.994335 H\n0.851105 0.964524 0.505665 H\n0.838934 0.078917 0.204264 H\n0.338934 0.921083 0.295736 H\n0.161066 0.921083 0.795736 H\n0.661066 0.078917 0.704264 H\n0.778314 0.095845 0.140978 H\n0.278314 0.904155 0.359022 H\n0.221686 0.904155 0.859022 H\n0.721686 0.095845 0.640978 H\n0.968609 0.097518 0.154436 H\n0.468609 0.902482 0.345564 H\n0.031391 0.902482 0.845564 H\n0.531391 0.097518 0.654436 H\n0.962401 0.798314 0.238388 H\n0.462401 0.201686 0.261612 H\n0.037599 0.201686 0.761612 H\n0.537599 0.798314 0.738388 H\n0.090376 0.822472 0.188663 H\n0.590376 0.177528 0.311337 H\n0.909624 0.177528 0.811337 H\n0.409624 0.822472 0.688663 H\n0.998393 0.597370 0.201037 H\n0.498393 0.402630 0.298963 H\n0.001607 0.402630 0.798963 H\n0.501607 0.597370 0.701037 H\n0.463766 0.917071 0.140669 C\n0.963766 0.082929 0.359331 C\n0.536234 0.082929 0.859331 C\n0.036234 0.917071 0.640669 C\n0.414536 0.586528 0.163195 C\n0.914536 0.413472 0.336805 C\n0.585464 0.413472 0.836805 C\n0.085464 0.586528 0.663195 C\n0.804601 0.647714 0.008427 C\n0.304601 0.352286 0.491573 C\n0.195399 0.352286 0.991573 C\n0.695399 0.647714 0.508427 C\n0.735426 0.958499 0.034222 C\n0.235426 0.041501 0.465778 C\n0.264574 0.041501 0.965778 C\n0.764574 0.958499 0.534222 C\n0.862579 0.034829 0.166218 C\n0.362579 0.965171 0.333782 C\n0.137421 0.965171 0.833782 C\n0.637421 0.034829 0.666218 C\n0.985985 0.754629 0.200251 C\n0.485985 0.245371 0.299749 C\n0.014015 0.245371 0.799749 C\n0.514015 0.754629 0.700251 C\n0.530768 0.721681 0.143900 N\n0.030768 0.278319 0.356100 N\n0.469232 0.278319 0.856100 N\n0.969232 0.721681 0.643900 N\n0.761494 0.755651 0.052997 N\n0.261494 0.244349 0.447003 N\n0.238506 0.244349 0.947003 N\n0.738506 0.755651 0.552997 N\n0.867189 0.820586 0.165197 N\n0.367189 0.179414 0.334803 N\n0.132811 0.179414 0.834803 N\n0.632811 0.820586 0.665197 N\n",
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{
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{
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{
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{
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"structure_string": "Al12 N4 O12\n1.0\n5.661763 0.000000 0.000000\n0.000000 5.710096 0.000000\n0.000000 0.000000 8.068303\nAl N O\n12 4 12\ndirect\n0.250000 0.507871 0.117251 Al\n0.750000 0.992129 0.617251 Al\n0.250000 0.249381 0.742404 Al\n0.750000 0.492129 0.882749 Al\n0.500000 0.500000 0.500000 Al\n0.250000 0.749381 0.757596 Al\n0.750000 0.750619 0.257596 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.250000 0.007871 0.382749 Al\n0.750000 0.250619 0.242404 Al\n0.000000 0.500000 0.500000 Al\n0.250000 0.273832 0.508327 N\n0.250000 0.773832 0.991673 N\n0.750000 0.226168 0.008327 N\n0.750000 0.726168 0.491673 N\n0.486825 0.501648 0.746548 O\n0.250000 0.740985 0.512633 O\n0.750000 0.759015 0.012633 O\n0.486825 0.001648 0.753452 O\n0.513175 0.998352 0.246548 O\n0.986825 0.998352 0.246548 O\n0.250000 0.240985 0.987367 O\n0.750000 0.259015 0.487367 O\n0.986825 0.498352 0.253452 O\n0.513175 0.498352 0.253452 O\n0.013175 0.501648 0.746548 O\n0.013175 0.001648 0.753452 O\n",
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{
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