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{
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{
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"formula_full": "Si16 O32",
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"spacegroup": 139
},
{
"id": "mp-1203292",
"created_at": "2022-09-04T14:43:08.430472Z",
"structure_string": "Na2 Co7 H16 C16 O32\n1.0\n8.454199 0.000000 0.000000\n-1.608974 8.400343 0.000000\n-1.357060 -0.411143 12.908348\nNa Co H C O\n2 7 16 16 32\ndirect\n0.269525 0.225815 0.911879 Na\n0.730475 0.774185 0.088121 Na\n0.000000 0.000000 0.500000 Co\n0.616059 0.273018 0.764890 Co\n0.383941 0.726982 0.235110 Co\n0.930914 0.034356 0.742291 Co\n0.069086 0.965644 0.257709 Co\n0.768092 0.643995 0.836339 Co\n0.231908 0.356005 0.163661 Co\n0.731327 0.212467 0.475830 H\n0.268673 0.787533 0.524170 H\n0.086196 0.504796 0.825888 H\n0.913804 0.495204 0.174112 H\n0.353824 0.088390 0.596925 H\n0.646176 0.911610 0.403075 H\n0.180066 0.874162 0.990495 H\n0.819934 0.125838 0.009505 H\n0.788980 0.589390 0.613871 H\n0.211020 0.410610 0.386129 H\n0.627063 0.356077 0.071151 H\n0.372937 0.643923 0.928849 H\n0.510293 0.976305 0.872698 H\n0.489707 0.023695 0.127302 H\n0.360567 0.460569 0.652553 H\n0.639433 0.539431 0.347447 H\n0.741438 0.188228 0.559504 C\n0.258562 0.811772 0.440496 C\n0.990193 0.400017 0.803597 C\n0.009807 0.599983 0.196403 C\n0.286852 0.092766 0.665239 C\n0.713148 0.907234 0.334761 C\n0.077404 0.861739 0.928729 C\n0.922596 0.138261 0.071271 C\n0.841655 0.717581 0.618638 C\n0.158345 0.282419 0.381362 C\n0.639243 0.391806 0.990256 C\n0.360757 0.608194 0.009744 C\n0.627946 0.951417 0.854948 C\n0.372054 0.048583 0.145052 C\n0.442751 0.556669 0.700913 C\n0.557249 0.443331 0.299087 C\n0.653031 0.249769 0.613559 O\n0.346969 0.750231 0.386441 O\n0.842315 0.099354 0.591305 O\n0.157685 0.900646 0.408695 O\n0.845718 0.425544 0.793688 O\n0.154282 0.574456 0.206312 O\n0.033731 0.268745 0.790702 O\n0.966269 0.731255 0.209298 O\n0.135501 0.033434 0.651919 O\n0.864499 0.966566 0.348081 O\n0.364873 0.155826 0.748564 O\n0.635127 0.844174 0.251436 O\n0.065470 0.985555 0.877832 O\n0.934530 0.014445 0.122168 O\n0.987237 0.725586 0.919195 O\n0.012763 0.274414 0.080805 O\n0.889409 0.779870 0.537733 O\n0.110591 0.220130 0.462267 O\n0.847298 0.786877 0.707860 O\n0.152702 0.213123 0.292140 O\n0.582308 0.283054 0.921157 O\n0.417692 0.716946 0.078843 O\n0.705158 0.534629 0.977109 O\n0.294842 0.465371 0.022891 O\n0.674873 0.832650 0.894964 O\n0.325127 0.167350 0.105036 O\n0.705725 0.051785 0.796728 O\n0.294275 0.948215 0.203272 O\n0.566895 0.508018 0.750988 O\n0.433105 0.491982 0.249012 O\n0.414577 0.692579 0.704188 O\n0.585423 0.307421 0.295812 O\n",
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"formula_full": "Na2 Co7 H16 C16 O32",
"formula_reduced": "Na2Co7H16(CO2)16",
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},
{
"id": "mp-1015076",
"created_at": "2022-09-04T14:43:08.478549Z",
"structure_string": "Cr4 N8\n1.0\n4.568379 0.000000 0.000000\n0.000000 4.676576 0.000000\n0.000000 3.665275 7.578857\nCr N\n4 8\ndirect\n0.482880 0.011447 0.508801 Cr\n0.517120 0.011447 0.008801 Cr\n0.127572 0.305665 0.130700 Cr\n0.872428 0.305665 0.630700 Cr\n0.257980 0.295814 0.929792 N\n0.742020 0.295814 0.429792 N\n0.270704 0.655769 0.101100 N\n0.729296 0.655769 0.601100 N\n0.223058 0.143749 0.610229 N\n0.776942 0.143749 0.110229 N\n0.293671 0.034925 0.324188 N\n0.706329 0.034925 0.824188 N\n",
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],
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"formula_full": "Cr4 N8",
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{
"id": "mp-1182739",
"created_at": "2022-09-04T14:43:08.810080Z",
"structure_string": "Na12 P4 O48\n1.0\n6.329385 0.000000 0.000000\n1.373073 11.316693 0.000000\n2.151168 3.172728 15.333502\nNa P O\n12 4 48\ndirect\n0.219467 0.517987 0.987120 Na\n0.780533 0.482013 0.012880 Na\n0.105436 0.389126 0.210663 Na\n0.894564 0.610874 0.789337 Na\n0.925476 0.679107 0.359993 Na\n0.074524 0.320893 0.640007 Na\n0.278715 0.060349 0.799588 Na\n0.721285 0.939651 0.200412 Na\n0.351209 0.906170 0.429168 Na\n0.648791 0.093830 0.570832 Na\n0.289268 0.128753 0.040655 Na\n0.710732 0.871247 0.959345 Na\n0.143526 0.816977 0.841287 P\n0.856474 0.183023 0.158713 P\n0.474169 0.710937 0.339625 P\n0.525831 0.289063 0.660375 P\n0.198505 0.697629 0.905840 O\n0.801495 0.302371 0.094160 O\n0.955311 0.798752 0.791488 O\n0.044689 0.201248 0.208512 O\n0.051540 0.922591 0.889840 O\n0.948460 0.077409 0.110160 O\n0.335619 0.857518 0.776178 O\n0.664381 0.142482 0.223822 O\n0.604482 0.590732 0.356141 O\n0.395518 0.409268 0.643859 O\n0.601756 0.819106 0.334833 O\n0.398244 0.180894 0.665167 O\n0.410338 0.720431 0.230653 O\n0.589662 0.279569 0.769347 O\n0.248682 0.726146 0.386209 O\n0.751318 0.273854 0.613791 O\n0.126199 0.726536 0.612458 O\n0.873801 0.273464 0.387542 O\n0.349406 0.974648 0.950182 O\n0.650594 0.025352 0.049818 O\n0.396942 0.537632 0.155431 O\n0.603058 0.462368 0.844569 O\n0.565092 0.881115 0.561146 O\n0.434908 0.118885 0.438854 O\n0.777997 0.576610 0.545302 O\n0.222003 0.423390 0.454698 O\n0.956941 0.008014 0.650300 O\n0.043059 0.991986 0.349700 O\n0.063679 0.315085 0.888792 O\n0.936321 0.684915 0.111208 O\n0.071431 0.809499 0.551988 O\n0.928569 0.190501 0.448012 O\n0.564660 0.790696 0.622699 O\n0.435340 0.209304 0.377301 O\n0.542764 0.402861 0.918292 O\n0.457236 0.597139 0.081708 O\n0.059812 0.281165 0.814808 O\n0.940188 0.718835 0.185192 O\n0.527211 0.188969 0.832264 O\n0.472789 0.811031 0.167736 O\n0.181682 0.322862 0.076931 O\n0.818318 0.677138 0.923069 O\n0.140798 0.020471 0.612999 O\n0.859202 0.979529 0.387001 O\n0.146085 0.463553 0.384996 O\n0.853915 0.536447 0.615004 O\n0.958584 0.562822 0.115960 O\n0.041416 0.437178 0.884040 O\n",
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{
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"structure_string": "Te6 Mo1 W3 Se2\n1.0\n1.750376 -3.031740 0.000000\n1.750376 3.031740 0.000000\n0.000000 0.000000 39.660227\nTe Mo W Se\n6 1 3 2\ndirect\n0.000000 0.000000 0.328227 Te\n0.000000 0.000000 0.703973 Te\n0.333333 0.666667 0.423228 Te\n0.333333 0.666667 0.516096 Te\n0.000000 0.000000 0.235347 Te\n0.000000 0.000000 0.611089 Te\n0.000000 0.000000 0.093924 Mo\n0.000000 0.000000 0.469655 W\n0.333333 0.666667 0.281769 W\n0.333333 0.666667 0.657549 W\n0.333333 0.666667 0.053113 Se\n0.333333 0.666667 0.134779 Se\n",
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{
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{
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"structure_string": "Ba4 Nd4 Sn8 S24\n1.0\n4.048845 0.000000 0.000000\n0.000000 12.081856 0.000000\n0.000000 0.000000 20.246389\nBa Nd Sn S\n4 4 8 24\ndirect\n0.500000 0.318216 0.078493 Ba\n0.500000 0.818216 0.921507 Ba\n0.500000 0.753114 0.361876 Ba\n0.500000 0.253114 0.638124 Ba\n0.500000 0.683741 0.120224 Nd\n0.500000 0.183741 0.879776 Nd\n0.500000 0.874325 0.581068 Nd\n0.500000 0.374325 0.418932 Nd\n0.500000 0.102097 0.254848 Sn\n0.500000 0.602097 0.745152 Sn\n0.000000 0.993975 0.092960 Sn\n0.000000 0.493975 0.907040 Sn\n0.000000 0.500713 0.248082 Sn\n0.000000 0.000713 0.751918 Sn\n0.000000 0.548091 0.575507 Sn\n0.000000 0.048091 0.424493 Sn\n0.500000 0.060160 0.016399 S\n0.500000 0.560160 0.983601 S\n0.500000 0.920944 0.167108 S\n0.500000 0.420944 0.832892 S\n0.500000 0.596147 0.507047 S\n0.500000 0.096147 0.492953 S\n0.500000 0.878629 0.741608 S\n0.500000 0.378629 0.258392 S\n0.000000 0.796577 0.043321 S\n0.000000 0.296577 0.956679 S\n0.000000 0.506059 0.120999 S\n0.000000 0.006059 0.879001 S\n0.000000 0.169000 0.161767 S\n0.000000 0.669000 0.838233 S\n0.000000 0.703532 0.230424 S\n0.000000 0.203532 0.769576 S\n0.000000 0.952201 0.317639 S\n0.000000 0.452201 0.682361 S\n0.000000 0.535443 0.372122 S\n0.000000 0.035443 0.627878 S\n0.000000 0.852455 0.477094 S\n0.000000 0.352455 0.522906 S\n0.000000 0.730710 0.637136 S\n0.000000 0.230710 0.362864 S\n",
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