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{
"id": "oqmd-11232",
"created_at": "2022-09-04T14:49:00.556019Z",
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"structure_string": "Li2 V10 H36 N4 O38\n1.0\n7.843457 -0.076049 0.118167\n3.484352 8.644061 -0.203216\n0.629390 3.535983 9.309338\nH Li N O V\n36 2 4 38 10\ndirect\n0.761683 0.855190 0.019202 H\n0.410974 0.187917 0.034777 H\n0.767577 0.510517 0.036937 H\n0.705151 0.118085 0.049148 H\n0.245270 0.577038 0.065736 H\n0.190932 0.269832 0.079256 H\n0.378161 0.808395 0.107110 H\n0.308145 0.069657 0.152497 H\n0.920657 0.255274 0.164548 H\n0.606264 0.524059 0.230482 H\n0.402187 0.558143 0.255623 H\n0.874548 0.111013 0.271501 H\n0.375868 0.273237 0.283654 H\n0.473756 0.083142 0.319589 H\n0.617337 0.170028 0.393220 H\n0.776744 0.243423 0.410259 H\n0.258273 0.902871 0.446125 H\n0.583456 0.288784 0.493100 H\n0.416545 0.711223 0.506902 H\n0.741727 0.097133 0.553893 H\n0.223254 0.756563 0.589740 H\n0.382659 0.829955 0.606805 H\n0.526213 0.916865 0.680405 H\n0.624137 0.726773 0.716337 H\n0.125442 0.888982 0.728512 H\n0.597812 0.441862 0.744358 H\n0.393742 0.475932 0.769520 H\n0.079365 0.744696 0.835459 H\n0.691862 0.930342 0.847501 H\n0.621857 0.191606 0.892897 H\n0.809056 0.730171 0.920737 H\n0.754713 0.422957 0.934257 H\n0.294808 0.881875 0.950881 H\n0.232462 0.489452 0.963058 H\n0.589015 0.812097 0.965216 H\n0.238323 0.144807 0.980790 H\n0.568008 0.350334 0.111058 Li\n0.432006 0.649660 0.888947 Li\n0.287148 0.168493 0.060948 N\n0.682040 0.196152 0.465002 N\n0.317960 0.803844 0.535011 N\n0.712865 0.831519 0.939038 N\n0.385796 0.784747 0.017361 O\n0.321468 0.494484 0.023029 O\n0.080829 0.975345 0.119507 O\n0.010225 0.409995 0.125925 O\n0.048779 0.685900 0.133390 O\n0.760965 0.917849 0.178085 O\n0.730570 0.638896 0.193135 O\n0.818953 0.218031 0.198172 O\n0.431284 0.874202 0.235922 O\n0.514766 0.470927 0.248133 O\n0.481307 0.187820 0.261244 O\n0.233672 0.682843 0.338459 O\n0.198817 0.400045 0.349831 O\n0.173462 0.111653 0.351028 O\n0.955491 0.915346 0.385377 O\n0.920435 0.636138 0.395305 O\n0.900623 0.366903 0.397518 O\n0.634796 0.873802 0.438760 O\n0.603629 0.598576 0.442041 O\n0.396365 0.401431 0.557954 O\n0.365200 0.126201 0.561239 O\n0.099380 0.633098 0.602477 O\n0.079566 0.363864 0.604692 O\n0.044512 0.084659 0.614618 O\n0.826550 0.888344 0.648963 O\n0.801183 0.599959 0.650163 O\n0.766331 0.317169 0.661531 O\n0.518695 0.812178 0.738761 O\n0.485238 0.529065 0.751875 O\n0.568719 0.125806 0.764077 O\n0.181052 0.781973 0.801851 O\n0.269428 0.361110 0.806860 O\n0.239032 0.082153 0.821916 O\n0.951221 0.314107 0.866602 O\n0.989774 0.590021 0.874072 O\n0.919155 0.024661 0.880491 O\n0.678544 0.505507 0.976976 O\n0.614204 0.215244 0.982654 O\n0.010008 0.840011 0.226561 V\n0.971523 0.521333 0.230051 V\n0.645327 0.788278 0.294696 V\n0.193005 0.524681 0.468156 V\n0.140034 0.201901 0.470570 V\n0.859967 0.798101 0.529419 V\n0.806997 0.475338 0.531837 V\n0.354674 0.211726 0.705300 V\n0.028470 0.478679 0.769950 V\n0.989982 0.159992 0.773436 V\n",
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"formula_full": "Li2 V10 H36 N4 O38",
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{
"id": "oqmd-1054807",
"created_at": "2022-09-04T15:33:43.927208Z",
"updated_at": "2022-09-04T15:33:43.927233Z",
"structure_string": "Cu48 Ge6 Se36\n1.0\n12.745210 -0.000063 0.000000\n-6.372659 11.037644 0.000000\n0.000000 0.000000 11.814295\nCu Ge Se\n48 6 36\ndirect\n0.838493 0.195259 0.054702 Cu\n0.195260 0.838493 0.054702 Cu\n0.356766 0.161508 0.054702 Cu\n0.161509 0.356766 0.054702 Cu\n0.804742 0.643232 0.054703 Cu\n0.643232 0.804742 0.054703 Cu\n0.538070 0.000000 0.270562 Cu\n0.000000 0.538070 0.270562 Cu\n0.461931 0.461931 0.270563 Cu\n0.809502 0.141974 0.336099 Cu\n0.858024 0.667527 0.336099 Cu\n0.141974 0.809502 0.336099 Cu\n0.667527 0.858024 0.336099 Cu\n0.332473 0.190502 0.336103 Cu\n0.190502 0.332472 0.336103 Cu\n0.870016 0.357890 0.429867 Cu\n0.357891 0.870016 0.429867 Cu\n0.487875 0.129985 0.429869 Cu\n0.129985 0.487875 0.429869 Cu\n0.642113 0.512127 0.429869 Cu\n0.512126 0.642113 0.429869 Cu\n0.813055 0.813055 0.459306 Cu\n0.186943 0.000000 0.459308 Cu\n0.000000 0.186944 0.459308 Cu\n0.804740 0.161506 0.554702 Cu\n0.161507 0.804741 0.554702 Cu\n0.356768 0.195258 0.554703 Cu\n0.195258 0.356767 0.554703 Cu\n0.838491 0.643234 0.554703 Cu\n0.643234 0.838492 0.554703 Cu\n0.461930 0.000000 0.770561 Cu\n0.000000 0.461930 0.770561 Cu\n0.538069 0.538069 0.770563 Cu\n0.332473 0.141976 0.836099 Cu\n0.858026 0.190498 0.836099 Cu\n0.141976 0.332473 0.836099 Cu\n0.190498 0.858026 0.836099 Cu\n0.809498 0.667528 0.836103 Cu\n0.667528 0.809498 0.836103 Cu\n0.642109 0.129984 0.929868 Cu\n0.129984 0.642110 0.929868 Cu\n0.870015 0.512125 0.929868 Cu\n0.512125 0.870015 0.929868 Cu\n0.487874 0.357887 0.929869 Cu\n0.357887 0.487873 0.929869 Cu\n0.186944 0.186945 0.959306 Cu\n0.813057 0.000000 0.959308 Cu\n0.000000 0.813057 0.959308 Cu\n0.666665 0.333334 0.173028 Ge\n0.333334 0.666665 0.173028 Ge\n0.000000 0.000000 0.201190 Ge\n0.666666 0.333335 0.673027 Ge\n0.333335 0.666666 0.673027 Ge\n0.000000 0.000000 0.701190 Ge\n0.000000 0.000000 0.000263 Se\n0.651356 0.000000 0.078250 Se\n0.000000 0.651356 0.078250 Se\n0.348644 0.348643 0.078251 Se\n0.843135 0.324369 0.223236 Se\n0.675629 0.518764 0.223236 Se\n0.518764 0.675629 0.223236 Se\n0.324369 0.843136 0.223236 Se\n0.481227 0.156858 0.223237 Se\n0.156858 0.481228 0.223237 Se\n0.817743 0.817743 0.247169 Se\n0.182257 0.000000 0.247172 Se\n0.000000 0.182257 0.247172 Se\n0.640333 0.000000 0.444019 Se\n0.000000 0.640333 0.444019 Se\n0.359668 0.359668 0.444024 Se\n0.666667 0.333334 0.471657 Se\n0.333334 0.666668 0.471657 Se\n0.000000 0.000000 0.500263 Se\n0.348644 0.000000 0.578250 Se\n0.000000 0.348644 0.578250 Se\n0.651356 0.651357 0.578251 Se\n0.481236 0.324371 0.723235 Se\n0.324371 0.481237 0.723235 Se\n0.675631 0.156864 0.723236 Se\n0.156865 0.675631 0.723236 Se\n0.843142 0.518772 0.723237 Se\n0.518773 0.843142 0.723237 Se\n0.182257 0.182257 0.747169 Se\n0.817743 0.000000 0.747172 Se\n0.000000 0.817742 0.747172 Se\n0.359666 0.000000 0.944019 Se\n0.000000 0.359667 0.944019 Se\n0.640332 0.640332 0.944024 Se\n0.666667 0.333333 0.971657 Se\n0.333333 0.666666 0.971657 Se\n",
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{
"id": "oqmd-687898",
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"updated_at": "2022-09-04T15:52:21.416611Z",
"structure_string": "Ba2 P12 H32 N8 O36\n1.0\n10.766518 0.000000 0.000000\n-5.383259 9.324078 0.000000\n0.000000 0.000000 8.903625\nBa H N O P\n2 32 8 36 12\ndirect\n0.333333 0.666667 0.242010 Ba\n0.666667 0.333333 0.742010 Ba\n0.224091 0.311628 0.051540 H\n0.087536 0.775909 0.051540 H\n0.688372 0.912464 0.051540 H\n0.849244 0.057033 0.064140 H\n0.207789 0.150756 0.064140 H\n0.942967 0.792211 0.064140 H\n0.582199 0.237796 0.219731 H\n0.762204 0.344403 0.219731 H\n0.655597 0.417801 0.219731 H\n0.666667 0.333333 0.374191 H\n0.830989 0.037356 0.394317 H\n0.206367 0.169011 0.394317 H\n0.962644 0.793633 0.394317 H\n0.279495 0.340714 0.456668 H\n0.061219 0.720505 0.456668 H\n0.659286 0.938781 0.456668 H\n0.775909 0.087536 0.551540 H\n0.311628 0.224091 0.551540 H\n0.912464 0.688372 0.551540 H\n0.150756 0.207789 0.564140 H\n0.057033 0.849244 0.564140 H\n0.792211 0.942967 0.564140 H\n0.237796 0.582199 0.719731 H\n0.417801 0.655597 0.719731 H\n0.344403 0.762204 0.719731 H\n0.333333 0.666667 0.874191 H\n0.169011 0.206367 0.894317 H\n0.037356 0.830989 0.894317 H\n0.793633 0.962644 0.894317 H\n0.720505 0.061219 0.956668 H\n0.340714 0.279495 0.956668 H\n0.938781 0.659286 0.956668 H\n0.666667 0.333333 0.258224 N\n0.765757 0.001051 0.489489 N\n0.235294 0.234243 0.489489 N\n0.998949 0.764706 0.489489 N\n0.333333 0.666667 0.758224 N\n0.234243 0.235294 0.989489 N\n0.001051 0.765757 0.989489 N\n0.764706 0.998949 0.989489 N\n0.418254 0.555238 0.016955 O\n0.136984 0.581746 0.016955 O\n0.444762 0.863016 0.016955 O\n0.429072 0.053401 0.181386 O\n0.946599 0.375671 0.181386 O\n0.624329 0.570928 0.181386 O\n0.177558 0.370995 0.227002 O\n0.629005 0.806563 0.227002 O\n0.193437 0.822442 0.227002 O\n0.200843 0.066927 0.234339 O\n0.933073 0.133916 0.234339 O\n0.866084 0.799157 0.234339 O\n0.321347 0.006050 0.434662 O\n0.993950 0.315297 0.434662 O\n0.684703 0.678653 0.434662 O\n0.407229 0.540423 0.461132 O\n0.133194 0.592771 0.461132 O\n0.459577 0.866806 0.461132 O\n0.581746 0.136984 0.516955 O\n0.555238 0.418254 0.516955 O\n0.863016 0.444762 0.516955 O\n0.053401 0.429072 0.681386 O\n0.570928 0.624329 0.681386 O\n0.375671 0.946599 0.681386 O\n0.370995 0.177558 0.727002 O\n0.822442 0.193437 0.727002 O\n0.806563 0.629005 0.727002 O\n0.066927 0.200843 0.734339 O\n0.799157 0.866084 0.734339 O\n0.133916 0.933073 0.734339 O\n0.006050 0.321347 0.934662 O\n0.678653 0.684703 0.934662 O\n0.315297 0.993950 0.934662 O\n0.592771 0.133194 0.961132 O\n0.540423 0.407229 0.961132 O\n0.866806 0.459577 0.961132 O\n0.457055 0.006920 0.015453 P\n0.993080 0.450135 0.015453 P\n0.549865 0.542945 0.015453 P\n0.020906 0.291486 0.261873 P\n0.708514 0.729420 0.261873 P\n0.270580 0.979094 0.261873 P\n0.006920 0.457055 0.515453 P\n0.542945 0.549865 0.515453 P\n0.450135 0.993080 0.515453 P\n0.291486 0.020906 0.761873 P\n0.979094 0.270580 0.761873 P\n0.729420 0.708514 0.761873 P\n",
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{
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