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{
"id": "mp-11107",
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{
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{
"id": "mp-1203308",
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"structure_string": "H38 C12 N14 O8\n1.0\n7.667339 0.000000 0.000000\n3.260919 9.544712 0.000000\n1.978769 4.186403 10.058125\nH C N O\n38 12 14 8\ndirect\n0.022973 0.602664 0.573401 H\n0.977027 0.397336 0.426599 H\n0.857326 0.521488 0.687764 H\n0.142674 0.478512 0.312236 H\n0.817005 0.732514 0.886460 H\n0.182995 0.267486 0.113540 H\n0.746878 0.591023 0.866588 H\n0.253122 0.408977 0.133412 H\n0.267384 0.738749 0.175561 H\n0.732616 0.261251 0.824439 H\n0.648497 0.399318 0.046480 H\n0.351503 0.600682 0.953520 H\n0.659215 0.383546 0.372219 H\n0.340785 0.616454 0.627781 H\n0.439033 0.515649 0.365570 H\n0.560967 0.484351 0.634430 H\n0.204388 0.938700 0.926329 H\n0.795612 0.061300 0.073671 H\n0.297921 0.945009 0.765257 H\n0.702079 0.054991 0.234743 H\n0.447426 0.911956 0.888177 H\n0.552574 0.088044 0.111823 H\n0.297622 0.338994 0.639064 H\n0.702378 0.661006 0.360936 H\n0.233170 0.206348 0.600736 H\n0.766830 0.793652 0.399264 H\n0.467234 0.172128 0.631993 H\n0.532766 0.827872 0.368007 H\n0.219850 0.328304 0.841747 H\n0.780150 0.671696 0.158253 H\n0.205985 0.933117 0.150265 H\n0.794015 0.066883 0.849735 H\n0.085732 0.858161 0.494491 H\n0.914268 0.141839 0.505509 H\n0.082043 0.003510 0.335230 H\n0.917957 0.996490 0.664770 H\n0.778058 0.317237 0.191778 H\n0.221942 0.682763 0.808222 H\n0.933237 0.681370 0.723514 C\n0.066763 0.318630 0.276486 C\n0.179152 0.780023 0.344754 C\n0.820848 0.219977 0.655246 C\n0.522989 0.467764 0.198394 C\n0.477011 0.532236 0.801606 C\n0.309601 0.973450 0.848315 C\n0.690399 0.026550 0.151685 C\n0.322429 0.218132 0.660837 C\n0.677571 0.781868 0.339163 C\n0.231963 0.205282 0.888458 C\n0.768037 0.794718 0.111542 C\n0.939683 0.591799 0.658442 N\n0.060317 0.408201 0.341558 N\n0.821799 0.667691 0.834487 N\n0.178201 0.332309 0.165513 N\n0.216470 0.822782 0.212071 N\n0.783530 0.177218 0.787929 N\n0.111720 0.890571 0.393682 N\n0.888280 0.109429 0.606318 N\n0.660597 0.385574 0.142046 N\n0.339403 0.614426 0.857954 N\n0.544222 0.454067 0.322279 N\n0.455778 0.545933 0.677721 N\n0.281729 0.136699 0.801558 N\n0.718271 0.863301 0.198442 N\n0.032034 0.773731 0.682132 O\n0.967966 0.226269 0.317868 O\n0.206847 0.640442 0.421400 O\n0.793153 0.359558 0.578600 O\n0.375817 0.555365 0.138138 O\n0.624183 0.444635 0.861862 O\n0.200806 0.141135 0.010751 O\n0.799194 0.858865 0.989249 O\n",
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"formula_full": "H38 C12 N14 O8",
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{
"id": "mp-559300",
"created_at": "2022-09-04T14:41:20.538549Z",
"structure_string": "K8 Li8 P16 O48\n1.0\n5.617074 0.000000 0.000000\n0.000000 13.990334 0.000000\n0.000000 4.948243 14.887142\nK Li P O\n8 8 16 48\ndirect\n0.675168 0.624948 0.632652 K\n0.824832 0.624948 0.132652 K\n0.332799 0.123986 0.640220 K\n0.324832 0.375052 0.367348 K\n0.832799 0.876014 0.859780 K\n0.667201 0.876014 0.359780 K\n0.175168 0.375052 0.867348 K\n0.167201 0.123986 0.140220 K\n0.304861 0.069809 0.889865 Li\n0.316178 0.427069 0.137244 Li\n0.816178 0.572931 0.362756 Li\n0.183822 0.427069 0.637244 Li\n0.195139 0.069809 0.389865 Li\n0.683822 0.572931 0.862756 Li\n0.804861 0.930191 0.610135 Li\n0.695139 0.930191 0.110135 Li\n0.150759 0.641963 0.485016 P\n0.316475 0.645673 0.307015 P\n0.816475 0.354327 0.192985 P\n0.668006 0.160395 0.979536 P\n0.691513 0.144111 0.307271 P\n0.191513 0.855889 0.192729 P\n0.831994 0.160395 0.479536 P\n0.331994 0.839605 0.020464 P\n0.168006 0.839605 0.520464 P\n0.183525 0.645673 0.807014 P\n0.683525 0.354327 0.692986 P\n0.650759 0.358037 0.014984 P\n0.308487 0.855889 0.692729 P\n0.808487 0.144111 0.807271 P\n0.849241 0.358037 0.514984 P\n0.349241 0.641963 0.985016 P\n0.219510 0.934482 0.961995 O\n0.557599 0.624184 0.277122 O\n0.754343 0.246664 0.021563 O\n0.337330 0.617093 0.415984 O\n0.222231 0.766711 0.781529 O\n0.940517 0.884429 0.206344 O\n0.904418 0.834000 0.538687 O\n0.600285 0.403809 0.215995 O\n0.595582 0.834000 0.038687 O\n0.057599 0.375816 0.222878 O\n0.883675 0.065299 0.327122 O\n0.598443 0.650662 0.948537 O\n0.662670 0.382907 0.584016 O\n0.399715 0.596191 0.784005 O\n0.059483 0.115571 0.793656 O\n0.254343 0.753336 0.478437 O\n0.204533 0.571928 0.576933 O\n0.795467 0.428072 0.423067 O\n0.245657 0.753336 0.978437 O\n0.442401 0.375816 0.722878 O\n0.899715 0.403809 0.715995 O\n0.116325 0.934701 0.672878 O\n0.616325 0.065299 0.827122 O\n0.688731 0.200934 0.383506 O\n0.162670 0.617093 0.915984 O\n0.901557 0.650662 0.448537 O\n0.311269 0.799066 0.616494 O\n0.188731 0.799066 0.116494 O\n0.440517 0.115571 0.293656 O\n0.722231 0.233289 0.718471 O\n0.719510 0.065518 0.538005 O\n0.280490 0.934482 0.461995 O\n0.401557 0.349338 0.051463 O\n0.383675 0.934701 0.172878 O\n0.837330 0.382907 0.084016 O\n0.100285 0.596191 0.284005 O\n0.295467 0.571928 0.076933 O\n0.942401 0.624184 0.777122 O\n0.404418 0.166000 0.961313 O\n0.745657 0.246664 0.521563 O\n0.098443 0.349338 0.551463 O\n0.277769 0.766711 0.281529 O\n0.095582 0.166000 0.461313 O\n0.811269 0.200934 0.883506 O\n0.704533 0.428072 0.923067 O\n0.559483 0.884429 0.706344 O\n0.780490 0.065518 0.038005 O\n0.777769 0.233289 0.218471 O\n",
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{
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"structure_string": "Rb24 U8 Cu48 S60\n1.0\n-9.473791 -9.473791 9.473791\n-9.473791 9.473791 -9.473791\n9.473791 -9.473791 -9.473791\nRb U Cu S\n24 8 48 60\ndirect\n0.091963 0.841963 0.183927 Rb\n0.408037 0.091963 0.250000 Rb\n0.841963 0.658037 0.250000 Rb\n0.658037 0.408037 0.316073 Rb\n0.183927 0.091963 0.841963 Rb\n0.250000 0.408037 0.091963 Rb\n0.250000 0.841963 0.658037 Rb\n0.316073 0.658037 0.408037 Rb\n0.841963 0.183927 0.091963 Rb\n0.091963 0.250000 0.408037 Rb\n0.658037 0.250000 0.841963 Rb\n0.408037 0.316073 0.658037 Rb\n0.908037 0.158037 0.816073 Rb\n0.591963 0.908037 0.750000 Rb\n0.158037 0.341963 0.750000 Rb\n0.341963 0.591963 0.683927 Rb\n0.816073 0.908037 0.158037 Rb\n0.750000 0.591963 0.908037 Rb\n0.750000 0.158037 0.341963 Rb\n0.683927 0.341963 0.591963 Rb\n0.158037 0.816073 0.908037 Rb\n0.908037 0.750000 0.591963 Rb\n0.341963 0.750000 0.158037 Rb\n0.591963 0.683927 0.341963 Rb\n-0.000000 0.500000 -0.000000 U\n0.500000 -0.000000 -0.000000 U\n-0.000000 -0.000000 0.500000 U\n0.500000 0.500000 0.500000 U\n-0.000000 0.500000 0.500000 U\n0.500000 -0.000000 0.500000 U\n0.500000 0.500000 -0.000000 U\n-0.000000 -0.000000 -0.000000 U\n0.135039 0.566885 0.915959 Cu\n0.364961 0.780920 0.931846 Cu\n0.849074 0.933115 0.568154 Cu\n0.650926 0.719080 0.584041 Cu\n0.915959 0.135039 0.566885 Cu\n0.931846 0.364961 0.780920 Cu\n0.568154 0.849074 0.933115 Cu\n0.584041 0.650926 0.719080 Cu\n0.566885 0.915959 0.135039 Cu\n0.780920 0.931846 0.364961 Cu\n0.933115 0.568154 0.849074 Cu\n0.719080 0.584041 0.650926 Cu\n0.864961 0.433115 0.084041 Cu\n0.635039 0.219080 0.068154 Cu\n0.150926 0.066885 0.431846 Cu\n0.349074 0.280920 0.415959 Cu\n0.084041 0.864961 0.433115 Cu\n0.068154 0.635039 0.219080 Cu\n0.431846 0.150926 0.066885 Cu\n0.415959 0.349074 0.280920 Cu\n0.433115 0.084041 0.864961 Cu\n0.219080 0.068154 0.635039 Cu\n0.066885 0.431846 0.150926 Cu\n0.280920 0.415959 0.349074 Cu\n0.066885 0.635039 0.415959 Cu\n0.280920 0.864961 0.431846 Cu\n0.433115 0.349074 0.068154 Cu\n0.219080 0.150926 0.084041 Cu\n0.635039 0.415959 0.066885 Cu\n0.864961 0.431846 0.280920 Cu\n0.349074 0.068154 0.433115 Cu\n0.150926 0.084041 0.219080 Cu\n0.415959 0.066885 0.635039 Cu\n0.431846 0.280920 0.864961 Cu\n0.068154 0.433115 0.349074 Cu\n0.084041 0.219080 0.150926 Cu\n0.933115 0.364961 0.584041 Cu\n0.719080 0.135039 0.568154 Cu\n0.566885 0.650926 0.931846 Cu\n0.780920 0.849074 0.915959 Cu\n0.364961 0.584041 0.933115 Cu\n0.135039 0.568154 0.719080 Cu\n0.650926 0.931846 0.566885 Cu\n0.849074 0.915959 0.780920 Cu\n0.584041 0.933115 0.364961 Cu\n0.568154 0.719080 0.135039 Cu\n0.931846 0.566885 0.650926 Cu\n0.915959 0.780920 0.849074 Cu\n0.838974 0.420577 0.829264 S\n0.661026 0.990290 0.081603 S\n0.908687 0.079423 0.418397 S\n0.591313 0.509710 0.670736 S\n0.829264 0.838974 0.420577 S\n0.081603 0.661026 0.990290 S\n0.418397 0.908687 0.079423 S\n0.670736 0.591313 0.509710 S\n0.420577 0.829264 0.838974 S\n0.990290 0.081603 0.661026 S\n0.079423 0.418397 0.908687 S\n0.509710 0.670736 0.591313 S\n0.161026 0.579423 0.170736 S\n0.338974 0.009710 0.918397 S\n0.091313 0.920577 0.581603 S\n0.408687 0.490290 0.329264 S\n0.170736 0.161026 0.579423 S\n0.918397 0.338974 0.009710 S\n0.581603 0.091313 0.920577 S\n0.329264 0.408687 0.490290 S\n0.579423 0.170736 0.161026 S\n0.009710 0.918397 0.338974 S\n0.920577 0.581603 0.091313 S\n0.490290 0.329264 0.408687 S\n0.920577 0.338974 0.329264 S\n0.490290 0.161026 0.581603 S\n0.579423 0.408687 0.918397 S\n0.009710 0.091313 0.170736 S\n0.338974 0.329264 0.920577 S\n0.161026 0.581603 0.490290 S\n0.408687 0.918397 0.579423 S\n0.091313 0.170736 0.009710 S\n0.329264 0.920577 0.338974 S\n0.581603 0.490290 0.161026 S\n0.918397 0.579423 0.408687 S\n0.170736 0.009710 0.091313 S\n0.079423 0.661026 0.670736 S\n0.509710 0.838974 0.418397 S\n0.420577 0.591313 0.081603 S\n0.990290 0.908687 0.829264 S\n0.661026 0.670736 0.079423 S\n0.838974 0.418397 0.509710 S\n0.591313 0.081603 0.420577 S\n0.908687 0.829264 0.990290 S\n0.670736 0.079423 0.661026 S\n0.418397 0.509710 0.838974 S\n0.081603 0.420577 0.591313 S\n0.829264 0.990290 0.908687 S\n0.250000 0.125000 0.375000 S\n0.750000 0.375000 0.125000 S\n0.375000 0.250000 0.125000 S\n0.125000 0.750000 0.375000 S\n0.125000 0.375000 0.250000 S\n0.375000 0.125000 0.750000 S\n0.750000 0.875000 0.625000 S\n0.250000 0.625000 0.875000 S\n0.625000 0.750000 0.875000 S\n0.875000 0.250000 0.625000 S\n0.875000 0.625000 0.750000 S\n0.625000 0.875000 0.250000 S\n",
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{
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