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{
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"structure_string": "Zn2 H28 C4 N20 Cl4 O12\n1.0\n7.974069 0.000000 0.000000\n0.000000 13.258482 0.000000\n-3.889654 0.000000 7.158630\nZn H C N Cl O\n2 28 4 20 4 12\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.637912 0.844925 0.103025 H\n0.637912 0.655075 0.603025 H\n0.362088 0.155075 0.896975 H\n0.362088 0.344925 0.396975 H\n0.739107 0.055492 0.406458 H\n0.739107 0.444508 0.906458 H\n0.260893 0.944508 0.593542 H\n0.260893 0.555492 0.093542 H\n0.578156 0.954230 0.303106 H\n0.578156 0.545770 0.803106 H\n0.421844 0.045770 0.696894 H\n0.421844 0.454230 0.196894 H\n0.898141 0.816273 0.041100 H\n0.898141 0.683727 0.541100 H\n0.101859 0.183727 0.958900 H\n0.101859 0.316273 0.458900 H\n0.719411 0.866103 0.853849 H\n0.719411 0.633897 0.353849 H\n0.280589 0.133897 0.146151 H\n0.280589 0.366103 0.646151 H\n0.592337 0.289614 0.344756 H\n0.592337 0.210386 0.844756 H\n0.407663 0.710386 0.655244 H\n0.407663 0.789614 0.155244 H\n0.569704 0.211141 0.479816 H\n0.569704 0.288859 0.979816 H\n0.430296 0.788859 0.520184 H\n0.430296 0.711141 0.020184 H\n0.776308 0.981790 0.210466 C\n0.776308 0.518210 0.710466 C\n0.223692 0.018210 0.789534 C\n0.223692 0.481790 0.289534 C\n0.819026 0.881244 0.989349 N\n0.819026 0.618756 0.489349 N\n0.180974 0.118756 0.010651 N\n0.180974 0.381244 0.510651 N\n0.723073 0.902469 0.092940 N\n0.723073 0.597531 0.592940 N\n0.276927 0.097531 0.907060 N\n0.276927 0.402469 0.407060 N\n0.694858 0.995135 0.318542 N\n0.694858 0.504865 0.818542 N\n0.305142 0.004865 0.681458 N\n0.305142 0.495135 0.181458 N\n0.911102 0.042890 0.203569 N\n0.911102 0.457110 0.703569 N\n0.088898 0.957110 0.796431 N\n0.088898 0.542890 0.296431 N\n0.973651 0.126741 0.310690 N\n0.973651 0.373259 0.810690 N\n0.026349 0.873259 0.689310 N\n0.026349 0.626741 0.189310 N\n0.299353 0.901189 0.265329 Cl\n0.299353 0.598811 0.765329 Cl\n0.700647 0.098811 0.734671 Cl\n0.700647 0.401189 0.234671 Cl\n0.088736 0.179909 0.285106 O\n0.088736 0.320091 0.785106 O\n0.911264 0.820091 0.714894 O\n0.911264 0.679909 0.214894 O\n0.922537 0.149931 0.429688 O\n0.922537 0.350069 0.929688 O\n0.077463 0.850069 0.570312 O\n0.077463 0.649931 0.070312 O\n0.497118 0.252340 0.367379 O\n0.497118 0.247660 0.867379 O\n0.502882 0.747660 0.632621 O\n0.502882 0.752340 0.132621 O\n",
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"formula_full": "Zn2 H28 C4 N20 Cl4 O12",
"formula_reduced": "ZnH14C2N10(ClO3)2",
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},
{
"id": "mp-24664",
"created_at": "2022-09-04T14:42:03.071123Z",
"structure_string": "Zn2 H16 C4 N8 Cl4 O4\n1.0\n6.394967 0.000000 0.000000\n-2.775760 -6.383046 0.000000\n-2.880657 0.936836 -11.587318\nZn H C N Cl O\n2 16 4 8 4 4\ndirect\n0.523059 0.336620 0.749051 Zn\n0.476941 0.663380 0.250949 Zn\n0.764968 0.016441 0.592738 H\n0.235032 0.983559 0.407262 H\n0.731831 0.754414 0.577190 H\n0.268169 0.245586 0.422810 H\n0.067611 0.680650 0.643313 H\n0.932389 0.319350 0.356687 H\n0.333033 0.877352 0.718871 H\n0.666967 0.122648 0.281129 H\n0.166585 0.347285 0.952156 H\n0.010526 0.669668 0.186027 H\n0.689344 0.052867 0.071784 H\n0.310656 0.947133 0.928216 H\n0.999070 0.173445 0.095202 H\n0.989474 0.330332 0.813973 H\n0.000930 0.826555 0.904798 H\n0.833415 0.652715 0.047844 H\n0.066032 0.974695 0.656618 C\n0.190963 0.804410 0.065212 C\n0.809037 0.195590 0.934788 C\n0.933968 0.025305 0.343382 C\n0.835819 0.907779 0.603867 N\n0.164181 0.092221 0.396133 N\n0.165217 0.869796 0.958570 N\n0.834783 0.130204 0.041430 N\n0.832157 0.163683 0.332560 N\n0.167843 0.836317 0.667440 N\n0.996780 0.686805 0.100404 N\n0.003220 0.313195 0.899596 N\n0.576179 0.635337 0.841341 Cl\n0.292892 0.640059 0.393368 Cl\n0.707108 0.359941 0.606632 Cl\n0.423821 0.364663 0.158659 Cl\n0.180373 0.168298 0.694291 O\n0.399142 0.853601 0.131461 O\n0.600858 0.146399 0.868539 O\n0.819627 0.831702 0.305709 O\n",
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"formula_full": "Zn2 H16 C4 N8 Cl4 O4",
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},
{
"id": "mp-1200184",
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"structure_string": "Zn2 H28 C4 N20 Cl4 O28\n1.0\n6.641383 0.000000 -4.874217\n-6.549513 0.000000 -5.689014\n0.000000 12.931434 0.000000\nZn H C N Cl O\n2 28 4 20 4 28\ndirect\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.477604 0.143189 0.813120 H\n0.022396 0.356811 0.313120 H\n0.522396 0.856811 0.186880 H\n0.977604 0.643189 0.686880 H\n0.304322 0.930774 0.903701 H\n0.195678 0.569226 0.403701 H\n0.695678 0.069226 0.096299 H\n0.804322 0.430774 0.596299 H\n0.630875 0.404809 0.829820 H\n0.869125 0.095191 0.329820 H\n0.369125 0.595191 0.170180 H\n0.130875 0.904809 0.670180 H\n0.203825 0.975618 0.017309 H\n0.296175 0.524382 0.517308 H\n0.796175 0.024382 0.982692 H\n0.703825 0.475618 0.482691 H\n0.441354 0.419128 0.795437 H\n0.058646 0.080872 0.295437 H\n0.558646 0.580872 0.204563 H\n0.941354 0.919128 0.704563 H\n0.750792 0.412221 0.114485 H\n0.749208 0.087779 0.614485 H\n0.249208 0.587779 0.885515 H\n0.250792 0.912221 0.385515 H\n0.791148 0.398616 0.997957 H\n0.708852 0.101384 0.497957 H\n0.208852 0.601384 0.002043 H\n0.291148 0.898616 0.502043 H\n0.349710 0.163480 0.948958 C\n0.150290 0.336520 0.448958 C\n0.650290 0.836520 0.051042 C\n0.849710 0.663480 0.551042 C\n0.508916 0.381709 0.853604 N\n0.991084 0.118291 0.353604 N\n0.491084 0.618291 0.146396 N\n0.008916 0.881709 0.646396 N\n0.454425 0.217821 0.869735 N\n0.045575 0.282179 0.369735 N\n0.545575 0.782179 0.130265 N\n0.954425 0.717821 0.630265 N\n0.288788 0.009598 0.959453 N\n0.211212 0.490402 0.459453 N\n0.711212 0.990402 0.040547 N\n0.788788 0.509598 0.540547 N\n0.322340 0.279620 0.013435 N\n0.177660 0.220380 0.513435 N\n0.677660 0.720380 0.986565 N\n0.822340 0.779620 0.486565 N\n0.201857 0.250031 0.086958 N\n0.298143 0.249969 0.586958 N\n0.798143 0.749969 0.913042 N\n0.701857 0.750031 0.413042 N\n0.518951 0.171340 0.297068 Cl\n0.981049 0.328660 0.797068 Cl\n0.481049 0.828660 0.702932 Cl\n0.018951 0.671340 0.202932 Cl\n0.179482 0.369220 0.134161 O\n0.320518 0.130780 0.634161 O\n0.820518 0.630780 0.865839 O\n0.679482 0.869220 0.365839 O\n0.118439 0.113975 0.105955 O\n0.381561 0.386025 0.605955 O\n0.881561 0.886025 0.894045 O\n0.618439 0.613975 0.394045 O\n0.699112 0.374504 0.047910 O\n0.800888 0.125496 0.547910 O\n0.300888 0.625496 0.952090 O\n0.199112 0.874504 0.452090 O\n0.389861 0.026751 0.279384 O\n0.110139 0.473249 0.779384 O\n0.610139 0.973249 0.720616 O\n0.889861 0.526751 0.220616 O\n0.460485 0.306802 0.259416 O\n0.039515 0.193198 0.759416 O\n0.539515 0.693198 0.740584 O\n0.960485 0.806802 0.240584 O\n0.556824 0.190031 0.407531 O\n0.943176 0.309969 0.907531 O\n0.443176 0.809969 0.592469 O\n0.056824 0.690031 0.092469 O\n0.670126 0.156669 0.240843 O\n0.829874 0.343331 0.740843 O\n0.329874 0.843331 0.759157 O\n0.170126 0.656669 0.259157 O\n",
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},
{
"id": "mp-1204018",
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"structure_string": "Zn4 H32 C8 S8 I8 N16\n1.0\n11.099142 0.000000 0.000000\n0.000000 8.103971 0.000000\n-0.058302 0.000000 15.145152\nZn H C S I N\n4 32 8 8 8 16\ndirect\n0.264978 0.518470 0.885277 Zn\n0.735022 0.018470 0.614723 Zn\n0.735022 0.481530 0.114723 Zn\n0.264978 0.981530 0.385277 Zn\n0.241628 0.686836 0.611086 H\n0.758372 0.186836 0.888914 H\n0.758372 0.313164 0.388914 H\n0.241628 0.813164 0.111086 H\n0.207054 0.645792 0.721757 H\n0.792946 0.145792 0.778243 H\n0.792946 0.354208 0.278243 H\n0.207054 0.854208 0.221757 H\n0.427355 0.626148 0.555838 H\n0.572645 0.126148 0.944162 H\n0.572645 0.373852 0.444162 H\n0.427355 0.873852 0.055838 H\n0.534172 0.521263 0.621517 H\n0.465828 0.021263 0.878483 H\n0.465828 0.478737 0.378483 H\n0.534172 0.978737 0.121517 H\n0.069405 0.257523 0.102409 H\n0.930595 0.757523 0.397591 H\n0.930595 0.742477 0.897591 H\n0.069405 0.242477 0.602409 H\n0.118415 0.264148 0.992812 H\n0.881585 0.764148 0.507188 H\n0.881585 0.735852 0.007188 H\n0.118415 0.235852 0.492812 H\n0.204280 0.333948 0.216280 H\n0.795720 0.833948 0.283720 H\n0.795720 0.666052 0.783720 H\n0.204280 0.166052 0.716280 H\n0.342006 0.425754 0.185760 H\n0.657994 0.925754 0.314240 H\n0.657994 0.574246 0.814240 H\n0.342006 0.074246 0.685760 H\n0.376446 0.577903 0.683435 C\n0.623554 0.077903 0.816565 C\n0.623554 0.422097 0.316565 C\n0.376446 0.922097 0.183435 C\n0.240489 0.347756 0.082939 C\n0.759511 0.847756 0.417061 C\n0.759511 0.652244 0.917061 C\n0.240489 0.152244 0.582939 C\n0.423886 0.490290 0.780772 S\n0.576114 0.990290 0.719228 S\n0.576114 0.509710 0.219228 S\n0.423886 0.009710 0.280772 S\n0.354222 0.395010 0.009539 S\n0.645778 0.895010 0.490461 S\n0.645778 0.604990 0.990461 S\n0.354222 0.104990 0.509539 S\n0.229619 0.835573 0.918848 I\n0.770381 0.335573 0.581152 I\n0.770381 0.164427 0.081152 I\n0.229619 0.664427 0.418848 I\n0.068895 0.374309 0.823059 I\n0.931105 0.874309 0.676941 I\n0.931105 0.625691 0.176941 I\n0.068895 0.125691 0.323059 I\n0.268426 0.648240 0.672390 N\n0.731574 0.148240 0.827610 N\n0.731574 0.351760 0.327610 N\n0.268426 0.851760 0.172390 N\n0.452246 0.576090 0.615003 N\n0.547754 0.076090 0.884997 N\n0.547754 0.423910 0.384997 N\n0.452246 0.923910 0.115003 N\n0.136664 0.278279 0.058365 N\n0.863336 0.778279 0.441635 N\n0.863336 0.721721 0.941635 N\n0.136664 0.221721 0.558365 N\n0.260484 0.378076 0.168371 N\n0.739516 0.878076 0.331629 N\n0.739516 0.621924 0.831629 N\n0.260484 0.121924 0.668371 N\n",
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"formula_full": "Zn4 H32 C8 S8 I8 N16",
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},
{
"id": "mp-722401",
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"formula_full": "Zn2 H32 C12 S4 N8 Cl4",
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