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{
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"structure_string": "V8 Zn4 H72 N24 O40\n1.0\n7.764114 0.000000 0.000000\n0.000000 12.651455 0.000000\n-7.084808 0.000000 14.996857\nV Zn H N O\n8 4 72 24 40\ndirect\n0.849252 0.619379 0.044106 V\n0.849252 0.880621 0.544106 V\n0.150748 0.380621 0.955894 V\n0.150748 0.119379 0.455894 V\n0.871398 0.988391 0.116156 V\n0.871398 0.511609 0.616156 V\n0.128602 0.011609 0.883844 V\n0.128602 0.488391 0.383844 V\n0.488530 0.684401 0.204667 Zn\n0.488530 0.815599 0.704667 Zn\n0.511470 0.315599 0.795333 Zn\n0.511470 0.184401 0.295333 Zn\n0.920509 0.466123 0.167067 H\n0.920509 0.033877 0.667067 H\n0.079491 0.533877 0.832933 H\n0.079491 0.966123 0.332933 H\n0.897280 0.413750 0.070556 H\n0.897280 0.086250 0.570556 H\n0.102720 0.586250 0.929444 H\n0.102720 0.913750 0.429444 H\n0.704363 0.445130 0.086119 H\n0.704363 0.054870 0.586119 H\n0.295637 0.554870 0.913881 H\n0.295637 0.945130 0.413881 H\n0.603467 0.963157 0.948139 H\n0.603467 0.536843 0.448139 H\n0.396533 0.036843 0.051861 H\n0.396533 0.463157 0.551861 H\n0.740667 0.855301 0.979133 H\n0.740667 0.644699 0.479133 H\n0.259333 0.144699 0.020867 H\n0.259333 0.355301 0.520867 H\n0.815691 0.965351 0.946470 H\n0.815691 0.534649 0.446470 H\n0.184309 0.034649 0.053530 H\n0.184309 0.465351 0.553530 H\n0.861543 0.696483 0.312462 H\n0.861543 0.803517 0.812462 H\n0.138457 0.303517 0.687538 H\n0.138457 0.196483 0.187538 H\n0.742530 0.786066 0.341314 H\n0.742530 0.713934 0.841314 H\n0.257470 0.213934 0.658686 H\n0.257470 0.286066 0.158686 H\n0.785690 0.805564 0.252951 H\n0.785690 0.694436 0.752951 H\n0.214310 0.194436 0.747049 H\n0.214310 0.305564 0.247049 H\n0.469999 0.696116 0.046300 H\n0.469999 0.803884 0.546300 H\n0.530001 0.303884 0.953700 H\n0.530001 0.196116 0.453700 H\n0.488453 0.817053 0.086166 H\n0.488453 0.682947 0.586166 H\n0.511547 0.182947 0.913834 H\n0.511547 0.317053 0.413834 H\n0.278274 0.753462 0.046709 H\n0.278274 0.746538 0.546709 H\n0.721726 0.246538 0.953291 H\n0.721726 0.253462 0.453291 H\n0.445665 0.492535 0.145483 H\n0.445665 0.007465 0.645483 H\n0.554335 0.507465 0.854517 H\n0.554335 0.992535 0.354517 H\n0.410280 0.498336 0.237389 H\n0.410280 0.001664 0.737389 H\n0.589720 0.501664 0.762611 H\n0.589720 0.998336 0.262611 H\n0.632981 0.495607 0.244558 H\n0.632981 0.004393 0.744558 H\n0.367019 0.504393 0.755442 H\n0.367019 0.995607 0.255442 H\n0.204162 0.779016 0.224363 H\n0.204162 0.720984 0.724363 H\n0.795838 0.220984 0.775637 H\n0.795838 0.279016 0.275637 H\n0.385331 0.761043 0.323062 H\n0.385331 0.738957 0.823062 H\n0.614669 0.238957 0.676938 H\n0.614669 0.261043 0.176938 H\n0.243604 0.661269 0.271927 H\n0.243604 0.838731 0.771927 H\n0.756396 0.338731 0.728073 H\n0.756396 0.161269 0.228073 H\n0.840866 0.468168 0.099523 N\n0.840866 0.031832 0.599523 N\n0.159134 0.531832 0.900477 N\n0.159134 0.968168 0.400477 N\n0.742084 0.936430 0.980901 N\n0.742084 0.563570 0.480901 N\n0.257916 0.063570 0.019099 N\n0.257916 0.436430 0.519099 N\n0.749851 0.748954 0.287468 N\n0.749851 0.751046 0.787468 N\n0.250149 0.251046 0.712532 N\n0.250149 0.248954 0.212532 N\n0.423242 0.745119 0.082146 N\n0.423242 0.754881 0.582146 N\n0.576758 0.254881 0.917854 N\n0.576758 0.245119 0.417854 N\n0.496666 0.524315 0.208698 N\n0.496666 0.975685 0.708698 N\n0.503334 0.475685 0.791302 N\n0.503334 0.024315 0.291302 N\n0.309518 0.727021 0.261898 N\n0.309518 0.772979 0.761898 N\n0.690482 0.272979 0.738102 N\n0.690482 0.227021 0.238102 N\n0.039889 0.666372 0.009288 O\n0.039889 0.833628 0.509288 O\n0.960111 0.333628 0.990712 O\n0.960111 0.166372 0.490712 O\n0.105160 0.579190 0.073685 O\n0.105160 0.920810 0.573685 O\n0.894840 0.420810 0.926315 O\n0.894840 0.079190 0.426315 O\n0.658938 0.684607 0.937933 O\n0.658938 0.815393 0.437933 O\n0.341062 0.315393 0.062067 O\n0.341062 0.184607 0.562067 O\n0.587896 0.589583 0.965189 O\n0.587896 0.910417 0.465189 O\n0.412104 0.410417 0.034811 O\n0.412104 0.089583 0.534811 O\n0.116952 0.949497 0.205027 O\n0.116952 0.550503 0.705027 O\n0.883048 0.050503 0.794973 O\n0.883048 0.449497 0.294973 O\n0.088592 0.922571 0.114034 O\n0.088592 0.577429 0.614034 O\n0.911408 0.077429 0.885966 O\n0.911408 0.422571 0.385966 O\n0.766646 0.975077 0.202297 O\n0.766646 0.524923 0.702297 O\n0.233354 0.024923 0.797703 O\n0.233354 0.475077 0.297703 O\n0.627712 0.952976 0.110338 O\n0.627712 0.547024 0.610338 O\n0.372288 0.047024 0.889662 O\n0.372288 0.452976 0.389662 O\n0.851449 0.693544 0.125656 O\n0.851449 0.806456 0.625656 O\n0.148551 0.306456 0.874344 O\n0.148551 0.193544 0.374344 O\n0.881296 0.115373 0.098202 O\n0.881296 0.384627 0.598202 O\n0.118704 0.884627 0.901798 O\n0.118704 0.615373 0.401798 O\n",
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"formula_full": "V8 Zn4 H72 N24 O40",
"formula_reduced": "V2ZnH18(N3O5)2",
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"spacegroup": 14
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{
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"created_at": "2022-09-04T14:45:56.667317Z",
"structure_string": "Nd8 H8 O8\n1.0\n7.927416 0.000000 0.000000\n0.000000 7.927416 0.000000\n0.000000 0.000000 5.590022\nNd H O\n8 8 8\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.000000 Nd\n0.500000 0.000000 0.051585 Nd\n0.000000 0.500000 0.948415 Nd\n0.250000 0.750000 0.500000 Nd\n0.250000 0.250000 0.500000 Nd\n0.750000 0.750000 0.500000 Nd\n0.750000 0.250000 0.500000 Nd\n0.500000 0.228306 0.750456 H\n0.500000 0.771694 0.750456 H\n0.728306 0.000000 0.750456 H\n0.271694 0.000000 0.750456 H\n0.000000 0.271694 0.249544 H\n0.000000 0.728306 0.249544 H\n0.771694 0.500000 0.249544 H\n0.228306 0.500000 0.249544 H\n0.500000 0.264680 0.254730 O\n0.500000 0.735320 0.254730 O\n0.764680 0.000000 0.254730 O\n0.235320 0.000000 0.254730 O\n0.000000 0.235320 0.745270 O\n0.000000 0.764680 0.745270 O\n0.735320 0.500000 0.745270 O\n0.264680 0.500000 0.745270 O\n",
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{
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"structure_string": "Y6 Ir1 I10\n1.0\n7.757114 0.000000 0.000000\n-2.437055 9.400699 0.000000\n-1.183457 -3.318457 9.163276\nY Ir I\n6 1 10\ndirect\n0.115111 0.042417 0.757621 Y\n0.884889 0.957583 0.242379 Y\n0.969625 0.279372 0.082513 Y\n0.030375 0.720628 0.917487 Y\n0.350968 0.125836 0.167290 Y\n0.649032 0.874164 0.832710 Y\n0.000000 0.000000 0.000000 Ir\n0.350653 0.451587 0.272433 I\n0.649347 0.548413 0.727567 I\n0.258866 0.088083 0.462752 I\n0.741134 0.911917 0.537248 I\n0.085620 0.372223 0.821443 I\n0.914380 0.627777 0.178557 I\n0.453050 0.815484 0.090803 I\n0.546950 0.184516 0.909197 I\n0.781112 0.258184 0.345354 I\n0.218888 0.741816 0.654646 I\n",
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{
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"structure_string": "Cu8 As16 H48 C16 I8 O16\n1.0\n0.000000 -8.284843 0.000000\n-12.974638 4.142421 0.000000\n6.050972 0.000000 -17.411089\nCu As H C I O\n8 16 48 16 8 16\ndirect\n0.221859 0.737036 0.566011 Cu\n0.484823 0.262964 0.933989 Cu\n0.778141 0.262964 0.433989 Cu\n0.515177 0.737036 0.066011 Cu\n0.926012 0.569787 0.572852 Cu\n0.356225 0.430213 0.927148 Cu\n0.073988 0.430213 0.427148 Cu\n0.643775 0.569787 0.072852 Cu\n0.472047 0.684396 0.554151 As\n0.787651 0.315604 0.945849 As\n0.527953 0.315604 0.445849 As\n0.212349 0.684396 0.054151 As\n0.359904 0.478138 0.399667 As\n0.881766 0.521862 0.100333 As\n0.640096 0.521862 0.600333 As\n0.118234 0.478138 0.899667 As\n0.269427 0.918737 0.564850 As\n0.350690 0.081263 0.935150 As\n0.730573 0.081263 0.435150 As\n0.649310 0.918737 0.064850 As\n0.608186 0.129231 0.600832 As\n0.478955 0.870769 0.899168 As\n0.391814 0.870769 0.399168 As\n0.521045 0.129231 0.100832 As\n0.692498 0.849993 0.542378 H\n0.842505 0.150007 0.957622 H\n0.307502 0.150007 0.457622 H\n0.157495 0.849993 0.042378 H\n0.709417 0.843676 0.637671 H\n0.865741 0.156324 0.862329 H\n0.290583 0.156324 0.362329 H\n0.134259 0.843676 0.137671 H\n0.793997 0.758954 0.562051 H\n0.035043 0.241046 0.937949 H\n0.206003 0.241046 0.437949 H\n0.964957 0.758954 0.062051 H\n0.539325 0.521639 0.296606 H\n0.017686 0.478361 0.203394 H\n0.460675 0.478361 0.703394 H\n0.982314 0.521639 0.796606 H\n0.325194 0.438014 0.255695 H\n0.887180 0.561986 0.244305 H\n0.674806 0.561986 0.744305 H\n0.112820 0.438014 0.755695 H\n0.370450 0.580872 0.306882 H\n0.789578 0.419128 0.193118 H\n0.629550 0.419128 0.693118 H\n0.210422 0.580872 0.806882 H\n0.011615 0.981407 0.565847 H\n0.030209 0.018593 0.934153 H\n0.988385 0.018593 0.434153 H\n0.969791 0.981407 0.065847 H\n0.098881 0.008870 0.662273 H\n0.090011 0.991130 0.837727 H\n0.901119 0.991130 0.337727 H\n0.909989 0.008870 0.162273 H\n0.200446 0.095678 0.608425 H\n0.104768 0.904322 0.891575 H\n0.799554 0.904322 0.391575 H\n0.895232 0.095678 0.108425 H\n0.895625 0.217142 0.679826 H\n0.678483 0.782858 0.820174 H\n0.104375 0.782858 0.320174 H\n0.321517 0.217142 0.179826 H\n0.726390 0.204344 0.740589 H\n0.522046 0.795656 0.759411 H\n0.273610 0.795656 0.259411 H\n0.477954 0.204344 0.240589 H\n0.789051 0.086868 0.691239 H\n0.702183 0.913132 0.808761 H\n0.210949 0.913132 0.308761 H\n0.297817 0.086868 0.191239 H\n0.693777 0.797146 0.576430 C\n0.896631 0.202854 0.923570 C\n0.306223 0.202854 0.423570 C\n0.103369 0.797146 0.076430 C\n0.403511 0.507595 0.303329 C\n0.895916 0.492405 0.196671 C\n0.596489 0.492405 0.696671 C\n0.104084 0.507595 0.803329 C\n0.128358 0.011790 0.605015 C\n0.116568 0.988210 0.894985 C\n0.871642 0.988210 0.394985 C\n0.883432 0.011790 0.105015 C\n0.774268 0.162871 0.688300 C\n0.611398 0.837129 0.811700 C\n0.225732 0.837129 0.311700 C\n0.388602 0.162871 0.188300 C\n0.000563 0.611894 0.441583 I\n0.388669 0.388106 0.058417 I\n0.999437 0.388106 0.558417 I\n0.611331 0.611894 0.941583 I\n0.089294 0.732659 0.694809 I\n0.356635 0.267341 0.805191 I\n0.910706 0.267341 0.305191 I\n0.643365 0.732659 0.194809 I\n0.514009 0.607121 0.460382 O\n0.906889 0.392879 0.039618 O\n0.485991 0.392879 0.539618 O\n0.093111 0.607121 0.960382 O\n0.499309 0.393454 0.385769 O\n0.105855 0.606546 0.114231 O\n0.500691 0.606546 0.614231 O\n0.894145 0.393454 0.885769 O\n0.474065 0.005509 0.617787 O\n0.468556 0.994491 0.882213 O\n0.525935 0.994491 0.382213 O\n0.531444 0.005509 0.117787 O\n0.723262 0.057404 0.527149 O\n0.665858 0.942596 0.972851 O\n0.276738 0.942596 0.472851 O\n0.334142 0.057404 0.027149 O\n",
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{
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"structure_string": "Tb6 Co1 Te2\n1.0\n4.223661 -7.315595 0.000000\n4.223661 7.315595 0.000000\n0.000000 0.000000 3.936710\nTb Co Te\n6 1 2\ndirect\n0.000000 0.404542 0.500000 Tb\n0.595458 0.595458 0.500000 Tb\n0.404542 0.000000 0.500000 Tb\n0.000000 0.764173 0.000000 Tb\n0.235827 0.235827 0.000000 Tb\n0.764173 0.000000 0.000000 Tb\n0.000000 0.000000 0.500000 Co\n0.333333 0.666667 0.000000 Te\n0.666667 0.333333 0.000000 Te\n",
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{
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"structure_string": "Bi6 Cl2 O8\n1.0\n2.899048 9.802815 0.000000\n-2.899048 9.802815 0.000000\n0.000000 1.670889 5.546103\nBi Cl O\n6 2 8\ndirect\n0.941441 0.348018 0.561358 Bi\n0.348018 0.941441 0.061358 Bi\n0.058559 0.651982 0.438642 Bi\n0.651982 0.058559 0.938642 Bi\n0.704775 0.295225 0.250000 Bi\n0.295225 0.704775 0.750000 Bi\n0.500000 0.000000 0.500000 Cl\n0.000000 0.500000 0.000000 Cl\n0.500006 0.367414 0.992933 O\n0.632586 0.499994 0.507067 O\n0.499994 0.632586 0.007067 O\n0.367414 0.500006 0.492933 O\n0.868875 0.951302 0.602459 O\n0.131125 0.048698 0.397541 O\n0.048698 0.131125 0.897541 O\n0.951302 0.868875 0.102459 O\n",
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