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{
"id": "mp-1203146",
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"structure_string": "Ti2 Si6 H60 C20 N8 Cl4\n1.0\n9.909316 0.000000 0.000000\n-3.284266 9.887667 0.000000\n-1.058461 -0.379700 12.835276\nTi Si H C N Cl\n2 6 60 20 8 4\ndirect\n0.011669 0.591368 0.852002 Ti\n0.988331 0.408632 0.147998 Ti\n0.179085 0.903857 0.778201 Si\n0.820915 0.096143 0.221799 Si\n0.676960 0.389670 0.761507 Si\n0.323040 0.610330 0.238493 Si\n0.856553 0.700480 0.729195 Si\n0.143447 0.299520 0.270805 Si\n0.168962 0.887983 0.583857 H\n0.831038 0.112017 0.416143 H\n0.342809 0.981424 0.639207 H\n0.657191 0.018576 0.360793 H\n0.283544 0.801469 0.642416 H\n0.716456 0.198531 0.357584 H\n0.039157 0.057651 0.721732 H\n0.960843 0.942349 0.278268 H\n0.079970 0.069990 0.859113 H\n0.920030 0.930010 0.140887 H\n0.213943 0.149651 0.776007 H\n0.786057 0.850349 0.223993 H\n0.290187 0.927287 0.962094 H\n0.709813 0.072713 0.037906 H\n0.360899 0.825953 0.884599 H\n0.639101 0.174047 0.115401 H\n0.415968 0.004184 0.872163 H\n0.584032 0.995816 0.127837 H\n0.775487 0.245655 0.652547 H\n0.224513 0.754345 0.347453 H\n0.794734 0.208060 0.786788 H\n0.205266 0.791940 0.213212 H\n0.624810 0.149048 0.714825 H\n0.375190 0.850952 0.285175 H\n0.553003 0.451399 0.905166 H\n0.446997 0.548601 0.094834 H\n0.486754 0.275676 0.872623 H\n0.513246 0.724324 0.127377 H\n0.651312 0.342746 0.951004 H\n0.348688 0.657254 0.048996 H\n0.591979 0.425144 0.577921 H\n0.408021 0.574856 0.422079 H\n0.452333 0.322559 0.648554 H\n0.547667 0.677441 0.351446 H\n0.511875 0.500502 0.669617 H\n0.488125 0.499498 0.330383 H\n0.876991 0.848062 0.918204 H\n0.123009 0.151938 0.081796 H\n0.763900 0.946968 0.880724 H\n0.236100 0.053032 0.119276 H\n0.689417 0.781318 0.928161 H\n0.310583 0.218682 0.071839 H\n0.599730 0.745258 0.643923 H\n0.400270 0.254742 0.356077 H\n0.526846 0.721147 0.767291 H\n0.473154 0.278853 0.232709 H\n0.604259 0.887858 0.722928 H\n0.395741 0.112142 0.277072 H\n0.813146 0.896995 0.587628 H\n0.186854 0.103005 0.412372 H\n0.940372 0.873469 0.505253 H\n0.059628 0.126531 0.494747 H\n0.754990 0.793069 0.471714 H\n0.245010 0.206931 0.528286 H\n0.881533 0.519166 0.572465 H\n0.118467 0.480834 0.427535 H\n0.794911 0.575135 0.462467 H\n0.205089 0.424865 0.537533 H\n0.980695 0.653199 0.496547 H\n0.019305 0.346801 0.503453 H\n0.249740 0.891852 0.648634 C\n0.750260 0.108148 0.351366 C\n0.121873 0.058886 0.784388 C\n0.878127 0.941114 0.215612 C\n0.323903 0.914926 0.884562 C\n0.676097 0.085074 0.115438 C\n0.724541 0.234786 0.726147 C\n0.275459 0.765214 0.273853 C\n0.584648 0.363042 0.884769 C\n0.415352 0.636958 0.115231 C\n0.547472 0.413201 0.653948 C\n0.452528 0.586799 0.346052 C\n0.772485 0.843824 0.880587 C\n0.227515 0.156176 0.119413 C\n0.614409 0.785254 0.724132 C\n0.385591 0.214746 0.275868 C\n0.837590 0.823278 0.538155 C\n0.162410 0.176722 0.461845 C\n0.876713 0.607871 0.529151 C\n0.123287 0.392129 0.470849 C\n0.030852 0.758598 0.792208 N\n0.969148 0.241402 0.207792 N\n0.829913 0.535295 0.775744 N\n0.170087 0.464705 0.224256 N\n0.753639 0.790529 0.773772 N\n0.246361 0.209471 0.226228 N\n0.842645 0.704504 0.595522 N\n0.157355 0.295496 0.404478 N\n0.183912 0.525115 0.785268 Cl\n0.816088 0.474885 0.214732 Cl\n0.035636 0.657870 0.028701 Cl\n0.964364 0.342130 0.971299 Cl\n",
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"formula_full": "Ti2 Si6 H60 C20 N8 Cl4",
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"spacegroup": 2
},
{
"id": "mp-35",
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"structure_string": "Mn29\n1.0\n-4.309249 4.309249 4.309249\n4.309249 -4.309249 4.309249\n4.309249 4.309249 -4.309249\nMn\n29\ndirect\n0.000000 0.000000 0.000000 Mn\n0.637573 0.637573 0.637573 Mn\n0.000000 0.000000 0.362427 Mn\n0.362427 0.000000 0.000000 Mn\n0.000000 0.362427 0.000000 Mn\n0.391672 0.712408 0.391672 Mn\n0.320736 0.000000 0.608328 Mn\n0.608328 0.000000 0.320736 Mn\n0.320736 0.608328 0.000000 Mn\n0.679264 0.679264 0.287592 Mn\n0.287592 0.679264 0.679264 Mn\n0.000000 0.608328 0.320736 Mn\n0.000000 0.320736 0.608328 Mn\n0.608328 0.320736 0.000000 Mn\n0.391672 0.391672 0.712408 Mn\n0.712408 0.391672 0.391672 Mn\n0.679264 0.287592 0.679264 Mn\n0.371604 0.178119 0.371604 Mn\n0.806515 0.000000 0.628396 Mn\n0.628396 0.000000 0.806515 Mn\n0.806515 0.628396 0.000000 Mn\n0.193485 0.193485 0.821881 Mn\n0.821881 0.193485 0.193485 Mn\n0.000000 0.628396 0.806515 Mn\n0.000000 0.806515 0.628396 Mn\n0.628396 0.806515 0.000000 Mn\n0.371604 0.371604 0.178119 Mn\n0.178119 0.371604 0.371604 Mn\n0.193485 0.821881 0.193485 Mn\n",
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{
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"created_at": "2022-09-04T14:45:10.992715Z",
"structure_string": "Rb8 Cr4 O16\n1.0\n6.205217 0.000000 0.000000\n0.000000 8.143358 0.000000\n0.000000 0.000000 10.977252\nRb Cr O\n8 4 16\ndirect\n0.250000 0.012009 0.301734 Rb\n0.750000 0.987991 0.698266 Rb\n0.250000 0.512009 0.198266 Rb\n0.750000 0.487991 0.801734 Rb\n0.250000 0.329838 0.585275 Rb\n0.750000 0.670162 0.414725 Rb\n0.250000 0.829838 0.914725 Rb\n0.750000 0.170162 0.085275 Rb\n0.250000 0.768720 0.578626 Cr\n0.750000 0.231280 0.421374 Cr\n0.250000 0.268720 0.921374 Cr\n0.750000 0.731280 0.078626 Cr\n0.529967 0.302863 0.351766 O\n0.029967 0.697137 0.648234 O\n0.970033 0.802863 0.148234 O\n0.470033 0.197137 0.851766 O\n0.470033 0.697137 0.648234 O\n0.970033 0.302863 0.351766 O\n0.029967 0.197137 0.851766 O\n0.529967 0.802863 0.148234 O\n0.250000 0.703578 0.433973 O\n0.750000 0.296422 0.566027 O\n0.250000 0.203578 0.066027 O\n0.750000 0.796422 0.933973 O\n0.750000 0.527218 0.082637 O\n0.250000 0.472782 0.917363 O\n0.750000 0.027218 0.417363 O\n0.250000 0.972782 0.582637 O\n",
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{
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"created_at": "2022-09-04T14:45:11.489626Z",
"structure_string": "K8 Ag8 C16 S16 N16\n1.0\n6.736763 0.000000 0.000000\n0.000000 10.845999 0.000000\n0.000000 0.000000 18.069691\nK Ag C S N\n8 8 16 16 16\ndirect\n0.647427 0.626493 0.269746 K\n0.147427 0.873507 0.269746 K\n0.352573 0.373507 0.730254 K\n0.147427 0.373507 0.230254 K\n0.352573 0.873507 0.769746 K\n0.852573 0.126493 0.730254 K\n0.852573 0.626493 0.769746 K\n0.647427 0.126493 0.230254 K\n0.670143 0.627638 0.002564 Ag\n0.329857 0.872362 0.502564 Ag\n0.170143 0.372362 0.497436 Ag\n0.170143 0.872362 0.002564 Ag\n0.829857 0.627638 0.502564 Ag\n0.329857 0.372362 0.997436 Ag\n0.829857 0.127638 0.997436 Ag\n0.670143 0.127638 0.497436 Ag\n0.520806 0.847012 0.123964 C\n0.979194 0.847012 0.623964 C\n0.832724 0.397861 0.631566 C\n0.167276 0.102139 0.131566 C\n0.479194 0.652988 0.623964 C\n0.020806 0.652988 0.123964 C\n0.332724 0.602139 0.868434 C\n0.332724 0.102139 0.631566 C\n0.667276 0.897861 0.368434 C\n0.520806 0.347012 0.376036 C\n0.667276 0.397861 0.131566 C\n0.979194 0.347012 0.876036 C\n0.020806 0.152988 0.376036 C\n0.832724 0.897861 0.868434 C\n0.167276 0.602139 0.368434 C\n0.479194 0.152988 0.876036 C\n0.018862 0.989749 0.891309 S\n0.956607 0.849421 0.532976 S\n0.018862 0.489749 0.608691 S\n0.981138 0.510251 0.391309 S\n0.518862 0.510251 0.891309 S\n0.043393 0.650579 0.032976 S\n0.543393 0.349421 0.467024 S\n0.518862 0.010251 0.608691 S\n0.956607 0.349421 0.967024 S\n0.456607 0.150579 0.967024 S\n0.543393 0.849421 0.032976 S\n0.456607 0.650579 0.532976 S\n0.481138 0.989749 0.391309 S\n0.481138 0.489749 0.108691 S\n0.981138 0.010251 0.108691 S\n0.043393 0.150579 0.467024 S\n0.504990 0.850219 0.189209 N\n0.802015 0.335364 0.149760 N\n0.995010 0.350219 0.810791 N\n0.302015 0.664636 0.350240 N\n0.495010 0.649781 0.689209 N\n0.995010 0.850219 0.689209 N\n0.004990 0.149781 0.310791 N\n0.197985 0.164636 0.649760 N\n0.004990 0.649781 0.189209 N\n0.302015 0.164636 0.149760 N\n0.504990 0.350219 0.310791 N\n0.802015 0.835364 0.350240 N\n0.697985 0.335364 0.649760 N\n0.697985 0.835364 0.850240 N\n0.495010 0.149781 0.810791 N\n0.197985 0.664636 0.850240 N\n",
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{
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"structure_string": "Na8 U4 O16\n1.0\n5.842548 0.000000 0.000000\n0.000000 6.008407 0.000000\n0.000000 0.000000 11.904064\nNa U O\n8 4 16\ndirect\n0.000798 0.053189 0.336078 Na\n0.500798 0.446811 0.663922 Na\n0.999202 0.553189 0.163922 Na\n0.499202 0.946811 0.836078 Na\n0.500798 0.053189 0.163922 Na\n0.000798 0.446811 0.836078 Na\n0.499202 0.553189 0.336078 Na\n0.999202 0.946811 0.663922 Na\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.000000 U\n0.000000 0.500000 0.500000 U\n0.500000 0.000000 0.500000 U\n0.606656 0.964395 0.346500 O\n0.106656 0.535605 0.653500 O\n0.393344 0.464395 0.153500 O\n0.893344 0.035605 0.846500 O\n0.393344 0.035605 0.653500 O\n0.893344 0.464395 0.346500 O\n0.606656 0.535605 0.846500 O\n0.106656 0.964395 0.153500 O\n0.795708 0.208810 0.545018 O\n0.295708 0.291190 0.454982 O\n0.204292 0.708810 0.954982 O\n0.704292 0.791190 0.045018 O\n0.295708 0.208810 0.954982 O\n0.795708 0.291190 0.045018 O\n0.704292 0.708810 0.545018 O\n0.204292 0.791190 0.454982 O\n",
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{
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{
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{
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