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{
"id": "mp-1201753",
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"structure_string": "Zn2 Co2 H44 C10 N20 Cl8 O12\n1.0\n7.832440 0.000000 0.000000\n-2.266310 12.093328 0.000000\n-3.243722 -5.007650 12.585479\nZn Co H C N Cl O\n2 2 44 10 20 8 12\ndirect\n0.952659 0.717593 0.298528 Zn\n0.047341 0.282407 0.701472 Zn\n0.460355 0.767068 0.744662 Co\n0.539645 0.232932 0.255338 Co\n0.445079 0.631668 0.060331 H\n0.554921 0.368332 0.939669 H\n0.280709 0.547598 0.936740 H\n0.719291 0.452402 0.063260 H\n0.665751 0.840967 0.974099 H\n0.334249 0.159033 0.025901 H\n0.665425 0.793570 0.081680 H\n0.334575 0.206430 0.918320 H\n0.023780 0.692320 0.761974 H\n0.976220 0.307680 0.238026 H\n0.979358 0.552543 0.771665 H\n0.020642 0.447457 0.228335 H\n0.704129 0.463433 0.778857 H\n0.295871 0.536567 0.221143 H\n0.524190 0.529396 0.766746 H\n0.475810 0.470604 0.233254 H\n0.648278 0.004768 0.732981 H\n0.351722 0.995232 0.267019 H\n0.765658 0.151778 0.819887 H\n0.234342 0.848222 0.180113 H\n0.724565 0.090063 0.047490 H\n0.275435 0.909937 0.952510 H\n0.799588 0.200169 0.003084 H\n0.200412 0.799831 0.996916 H\n0.385806 0.854682 0.443168 H\n0.614194 0.145318 0.556832 H\n0.537481 0.784927 0.390538 H\n0.462519 0.215073 0.609462 H\n0.717425 0.724836 0.621298 H\n0.282575 0.275164 0.378702 H\n0.727134 0.704038 0.491663 H\n0.272866 0.295962 0.508337 H\n0.300712 0.907879 0.623407 H\n0.699288 0.092121 0.376593 H\n0.147791 0.998159 0.629325 H\n0.852209 0.001841 0.370675 H\n0.985357 0.911380 0.814619 H\n0.014643 0.088620 0.185381 H\n0.975665 0.001770 0.741621 H\n0.024335 0.998230 0.258379 H\n0.219079 0.624073 0.555768 H\n0.780921 0.375927 0.444232 H\n0.228076 0.544761 0.624449 H\n0.771924 0.455239 0.375551 H\n0.464813 0.691404 0.939587 C\n0.535187 0.308596 0.060413 C\n0.762286 0.624739 0.761324 C\n0.237714 0.375261 0.238676 C\n0.691220 0.030641 0.888983 C\n0.308780 0.969359 0.111017 C\n0.553364 0.800030 0.544373 C\n0.446636 0.199970 0.455627 C\n0.164273 0.906920 0.730491 C\n0.835727 0.093080 0.269509 C\n0.380973 0.623341 0.984659 N\n0.619027 0.376659 0.015341 N\n0.617452 0.779266 0.003151 N\n0.382548 0.220734 0.996849 N\n0.939154 0.626874 0.773045 N\n0.060846 0.373126 0.226955 N\n0.651371 0.528005 0.762745 N\n0.348629 0.471995 0.237255 N\n0.708130 0.065691 0.808508 N\n0.291870 0.934309 0.191492 N\n0.764106 0.111907 0.989840 N\n0.235894 0.888093 0.010160 N\n0.490785 0.816854 0.453203 N\n0.509215 0.183146 0.546797 N\n0.681887 0.742044 0.553177 N\n0.318113 0.257956 0.446823 N\n0.209868 0.943076 0.656596 N\n0.790132 0.056924 0.343404 N\n0.050122 0.957841 0.778420 N\n0.949878 0.042159 0.221580 N\n0.118095 0.911778 0.389421 Cl\n0.881905 0.088222 0.610579 Cl\n0.974808 0.619474 0.415865 Cl\n0.025192 0.380526 0.584135 Cl\n0.651371 0.710850 0.233571 Cl\n0.348629 0.289150 0.766429 Cl\n0.061958 0.631205 0.164594 Cl\n0.938042 0.368795 0.835406 Cl\n0.397140 0.672527 0.841588 O\n0.602860 0.327473 0.158412 O\n0.706575 0.712510 0.748895 O\n0.293425 0.287490 0.251105 O\n0.616379 0.923209 0.874016 O\n0.383621 0.076791 0.125984 O\n0.493311 0.841255 0.623083 O\n0.506689 0.158745 0.376917 O\n0.227649 0.829718 0.760110 O\n0.772351 0.170282 0.239890 O\n0.301160 0.613110 0.615002 O\n0.698840 0.386890 0.384998 O\n",
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"formula_full": "Zn2 Co2 H44 C10 N20 Cl8 O12",
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"spacegroup": 2
},
{
"id": "mp-1194231",
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"structure_string": "Na2 Co2 Si8 H72 C24 N4 O1\n1.0\n9.329950 0.000000 0.000000\n-1.809627 10.975262 0.000000\n-4.286443 -2.322487 12.431133\nNa Co Si H C N O\n2 2 8 72 24 4 1\ndirect\n0.578606 0.710885 0.555119 Na\n0.421394 0.289115 0.444881 Na\n0.388312 0.518489 0.355683 Co\n0.611688 0.481511 0.644317 Co\n0.587042 0.745735 0.295439 Si\n0.412958 0.254265 0.704561 Si\n0.292648 0.782437 0.338433 Si\n0.707352 0.217563 0.661567 Si\n0.063697 0.316802 0.251302 Si\n0.936303 0.683198 0.748698 Si\n0.316655 0.293303 0.158837 Si\n0.683345 0.706697 0.841163 Si\n0.716621 0.572424 0.350435 H\n0.283379 0.427576 0.649565 H\n0.615793 0.542963 0.208265 H\n0.384207 0.457037 0.791735 H\n0.794767 0.651306 0.265458 H\n0.205233 0.348694 0.734542 H\n0.491349 0.891475 0.170741 H\n0.508651 0.108525 0.829259 H\n0.629076 0.819486 0.136179 H\n0.370924 0.180514 0.863821 H\n0.435291 0.735545 0.100622 H\n0.564709 0.264455 0.899378 H\n0.799145 0.843898 0.471543 H\n0.200855 0.156102 0.528457 H\n0.840052 0.896464 0.362050 H\n0.159948 0.103536 0.637950 H\n0.707068 0.958852 0.411025 H\n0.292932 0.041148 0.588975 H\n0.374471 0.975444 0.271148 H\n0.625529 0.024556 0.728852 H\n0.254244 0.998294 0.348119 H\n0.745756 0.001706 0.651881 H\n0.453952 0.999127 0.414495 H\n0.546048 0.000873 0.585505 H\n0.060583 0.631311 0.208079 H\n0.939417 0.368689 0.791921 H\n0.026989 0.784508 0.217845 H\n0.973011 0.215492 0.782155 H\n0.141278 0.738737 0.142043 H\n0.858722 0.261263 0.857957 H\n0.320255 0.828531 0.533454 H\n0.679745 0.171469 0.466546 H\n0.124404 0.800014 0.449352 H\n0.875596 0.199986 0.550648 H\n0.216334 0.673485 0.474058 H\n0.783666 0.326515 0.525942 H\n0.036923 0.508289 0.356669 H\n0.963077 0.491711 0.643331 H\n0.921801 0.373159 0.371416 H\n0.078199 0.626841 0.628584 H\n0.124312 0.410836 0.444245 H\n0.875688 0.589164 0.555755 H\n0.897044 0.268178 0.055977 H\n0.102956 0.731822 0.944023 H\n0.816860 0.360231 0.132573 H\n0.183140 0.639769 0.867427 H\n0.976071 0.429926 0.098403 H\n0.023929 0.570074 0.901597 H\n0.048156 0.124620 0.334631 H\n0.951844 0.875380 0.665369 H\n0.864737 0.138761 0.249400 H\n0.135263 0.861239 0.750600 H\n0.994587 0.083934 0.192146 H\n0.005413 0.916066 0.807854 H\n0.364482 0.499285 0.105108 H\n0.635518 0.500715 0.894892 H\n0.386929 0.380622 0.012614 H\n0.613071 0.619378 0.987386 H\n0.198728 0.398053 0.007719 H\n0.801272 0.601947 0.992281 H\n0.514111 0.177272 0.250176 H\n0.485889 0.822728 0.749824 H\n0.564234 0.246522 0.150094 H\n0.435766 0.753478 0.849906 H\n0.598635 0.339170 0.276620 H\n0.401365 0.660830 0.723380 H\n0.074596 0.144632 0.030195 H\n0.925404 0.855368 0.969805 H\n0.244849 0.114194 0.010331 H\n0.755151 0.885806 0.989669 H\n0.195697 0.064921 0.118751 H\n0.804303 0.935079 0.881249 H\n0.686349 0.614981 0.278042 C\n0.313651 0.385019 0.721958 C\n0.529172 0.803532 0.163623 C\n0.470828 0.196468 0.836377 C\n0.746332 0.873504 0.394616 C\n0.253668 0.126496 0.605384 C\n0.351101 0.955562 0.343737 C\n0.648899 0.044438 0.656263 C\n0.113461 0.728813 0.215144 C\n0.886539 0.271187 0.784856 C\n0.233816 0.769274 0.460078 C\n0.766184 0.230726 0.539922 C\n0.035205 0.411804 0.366826 C\n0.964795 0.588196 0.633174 C\n0.926044 0.346559 0.122336 C\n0.073956 0.653441 0.877664 C\n0.987752 0.150087 0.257224 C\n0.012248 0.849913 0.742776 C\n0.317449 0.403463 0.062208 C\n0.682551 0.596537 0.937792 C\n0.517363 0.262075 0.215268 C\n0.482637 0.737925 0.784732 C\n0.195248 0.140139 0.072307 C\n0.804752 0.859861 0.927693 C\n0.436056 0.698799 0.342162 N\n0.563944 0.301201 0.657838 N\n0.259170 0.353050 0.263876 N\n0.740830 0.646950 0.736124 N\n0.500000 0.500000 0.500000 O\n",
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{
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"structure_string": "Ba2 Ca1 Ce1 Gd2 Ti2 Cu2 O14\n1.0\n3.904593 0.000000 -0.000000\n0.000000 3.904593 0.000000\n0.000000 0.000000 20.752387\nBa Ca Ce Gd Ti Cu O\n2 1 1 2 2 2 14\ndirect\n0.750000 0.750000 0.755408 Ba\n0.250000 0.250000 0.241500 Ba\n0.750000 0.750000 0.565592 Ca\n0.250000 0.250000 0.059652 Ce\n0.250000 0.250000 0.439755 Gd\n0.750000 0.750000 0.936519 Gd\n0.250000 0.250000 0.647852 Ti\n0.750000 0.750000 0.352649 Ti\n0.250000 0.250000 0.853054 Cu\n0.750000 0.750000 0.144736 Cu\n0.250000 0.250000 0.737663 O\n0.750000 0.750000 0.262839 O\n0.750000 0.250000 0.639729 O\n0.250000 0.750000 0.639729 O\n0.250000 0.750000 0.361539 O\n0.750000 0.250000 0.361539 O\n0.250000 0.250000 0.541782 O\n0.750000 0.750000 0.453414 O\n0.750000 0.250000 0.002296 O\n0.250000 0.750000 0.002296 O\n0.750000 0.250000 0.863589 O\n0.250000 0.750000 0.863589 O\n0.250000 0.750000 0.136642 O\n0.750000 0.250000 0.136642 O\n",
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{
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"structure_string": "Ba1 Sr1 Li1 Nd1 Tl1 Cu2 O7\n1.0\n3.946281 0.076258 0.079396\n0.069040 4.345103 0.184971\n0.227390 0.544342 12.284561\nBa Sr Li Nd Tl Cu O\n1 1 1 1 1 2 7\ndirect\n0.510406 0.577640 0.812991 Ba\n0.456666 0.483310 0.220365 Sr\n0.243632 0.170177 0.455943 Li\n0.612849 0.626031 0.523041 Nd\n0.982302 0.074189 0.011995 Tl\n0.033111 0.100841 0.654909 Cu\n0.935676 0.943773 0.327167 Cu\n0.528655 0.114506 0.598434 O\n0.067224 0.607050 0.636691 O\n0.434563 0.919656 0.355472 O\n0.933313 0.412017 0.376297 O\n0.992189 0.033147 0.833821 O\n0.951933 0.829170 0.169002 O\n0.467482 0.356159 0.018665 O\n",
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{
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"structure_string": "Ni1 H24 C4 S4 N8 Cl2 O8\n1.0\n8.311709 -0.090363 1.997346\n3.391461 7.855871 2.457630\n-0.069004 -0.097355 9.063899\nNi H C S N Cl O\n1 24 4 4 8 2 8\ndirect\n0.000000 0.000000 0.000000 Ni\n0.603825 0.605737 0.387357 H\n0.396175 0.394263 0.612643 H\n0.734497 0.382369 0.408758 H\n0.265503 0.617631 0.591242 H\n0.827613 0.535118 0.300300 H\n0.172387 0.464882 0.699700 H\n0.827971 0.374206 0.974564 H\n0.172029 0.625794 0.025436 H\n0.671269 0.194950 0.129274 H\n0.328731 0.805050 0.870726 H\n0.818280 0.131071 0.247253 H\n0.181720 0.868929 0.752747 H\n0.647190 0.762814 0.590630 H\n0.352810 0.237186 0.409370 H\n0.772070 0.685856 0.748473 H\n0.227930 0.314144 0.251527 H\n0.868111 0.751300 0.554453 H\n0.131889 0.248700 0.445547 H\n0.850170 0.087585 0.709929 H\n0.149830 0.912415 0.290071 H\n0.678051 0.021762 0.960013 H\n0.321949 0.978238 0.039987 H\n0.825828 0.828050 0.962845 H\n0.174172 0.171950 0.037155 H\n0.710701 0.506167 0.332838 C\n0.289299 0.493833 0.667162 C\n0.749278 0.772672 0.637306 C\n0.250722 0.227328 0.362694 C\n0.640774 0.506786 0.163039 S\n0.359226 0.493214 0.836961 S\n0.668112 0.981523 0.669704 S\n0.331888 0.018477 0.330296 S\n0.807880 0.343276 0.093535 N\n0.192120 0.656724 0.906465 N\n0.795323 0.182162 0.135031 N\n0.204677 0.817838 0.864969 N\n0.826324 0.978689 0.754423 N\n0.173676 0.021311 0.245577 N\n0.804456 0.952625 0.918708 N\n0.195544 0.047375 0.081292 N\n0.009896 0.775944 0.221455 Cl\n0.990104 0.224056 0.778544 Cl\n0.484146 0.471953 0.207187 O\n0.515854 0.528047 0.792813 O\n0.642187 0.655657 0.049399 O\n0.357813 0.344343 0.950601 O\n0.508441 0.011076 0.776112 O\n0.491559 0.988924 0.223888 O\n0.669892 0.097446 0.522806 O\n0.330108 0.902554 0.477194 O\n",
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},
{
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{
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"structure_string": "Rb4 Nb6 C6 S6 N6 Cl12 O4\n1.0\n8.998877 -0.020218 -1.422334\n-3.220180 10.501483 -5.136319\n-0.050880 -0.091304 12.138089\nRb Nb C S N Cl O\n4 6 6 6 6 12 4\ndirect\n0.993325 0.376377 0.147695 Rb\n0.006675 0.623623 0.852305 Rb\n0.481213 0.231929 0.263468 Rb\n0.518787 0.768072 0.736532 Rb\n0.794145 0.847637 0.454353 Nb\n0.205855 0.152363 0.545647 Nb\n0.910252 0.135352 0.632457 Nb\n0.089748 0.864648 0.367543 Nb\n0.887584 0.032429 0.350751 Nb\n0.112416 0.967571 0.649249 Nb\n0.740225 0.080246 0.111331 C\n0.259775 0.919754 0.888669 C\n0.483335 0.610878 0.394600 C\n0.516665 0.389122 0.605400 C\n0.779672 0.346530 0.844572 C\n0.220328 0.653470 0.155428 C\n0.683433 0.103706 0.993121 S\n0.316567 0.896294 0.006879 S\n0.270859 0.548024 0.046394 S\n0.729141 0.451976 0.953606 S\n0.339410 0.498665 0.377307 S\n0.660590 0.501335 0.622693 S\n0.779158 0.065908 0.201870 N\n0.220842 0.934092 0.798130 N\n0.819515 0.269306 0.764014 N\n0.180485 0.730694 0.235986 N\n0.590530 0.696980 0.412609 N\n0.409470 0.303020 0.587391 N\n0.663973 0.981057 0.598803 Cl\n0.336027 0.018943 0.401197 Cl\n0.771456 0.191318 0.481755 Cl\n0.228544 0.808682 0.518245 Cl\n0.869094 0.674396 0.298580 Cl\n0.130906 0.325604 0.701420 Cl\n0.104359 0.211034 0.384750 Cl\n0.895641 0.788966 0.615250 Cl\n0.639559 0.864385 0.279462 Cl\n0.360441 0.135615 0.720538 Cl\n0.976769 0.885134 0.182400 Cl\n0.023231 0.114866 0.817600 Cl\n0.836635 0.411461 0.349689 O\n0.163365 0.588539 0.650311 O\n0.155254 0.179606 0.114587 O\n0.844746 0.820394 0.885413 O\n",
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{
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{
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},
{
"id": "mp-1194676",
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},
{
"id": "mp-1203521",
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]
}