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{
"id": "mp-1190124",
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{
"id": "mp-1213590",
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"structure_string": "Cu3 H30 Cl9 O54\n1.0\n5.158155 -8.934187 0.000000\n5.158155 8.934187 0.000000\n0.000000 0.000000 13.231060\nCu H Cl O\n3 30 9 54\ndirect\n0.696013 0.000000 0.833333 Cu\n0.000000 0.696013 0.166667 Cu\n0.303987 0.303987 0.500000 Cu\n0.326630 0.096563 0.598585 H\n0.903437 0.230067 0.931918 H\n0.096563 0.326630 0.401415 H\n0.769933 0.673370 0.265252 H\n0.230067 0.903437 0.068082 H\n0.673370 0.769933 0.734748 H\n0.264851 0.373665 0.685478 H\n0.626335 0.891186 0.018811 H\n0.373665 0.264851 0.314522 H\n0.108814 0.735149 0.352144 H\n0.891186 0.626335 0.981189 H\n0.735149 0.108814 0.647856 H\n0.437620 0.253781 0.646696 H\n0.746219 0.183838 0.980029 H\n0.253781 0.437620 0.353304 H\n0.816162 0.562380 0.313363 H\n0.183838 0.746219 0.019971 H\n0.562380 0.816162 0.686637 H\n0.471848 0.088387 0.830707 H\n0.911613 0.383461 0.164040 H\n0.088387 0.471848 0.169293 H\n0.616539 0.528152 0.497374 H\n0.383461 0.911613 0.835960 H\n0.528152 0.616539 0.502626 H\n0.149238 0.382090 0.611170 H\n0.617910 0.767148 0.944503 H\n0.382090 0.149238 0.388830 H\n0.232852 0.850762 0.277837 H\n0.767148 0.617910 0.055497 H\n0.850762 0.232852 0.722163 H\n0.175113 0.544555 0.854915 Cl\n0.455445 0.630558 0.188249 Cl\n0.544555 0.175113 0.145085 Cl\n0.369442 0.824887 0.521582 Cl\n0.630558 0.455445 0.811751 Cl\n0.824887 0.369442 0.478418 Cl\n0.083596 0.000000 0.833333 Cl\n0.000000 0.083596 0.166667 Cl\n0.916404 0.916404 0.500000 Cl\n0.067113 0.456767 0.775975 O\n0.543233 0.610346 0.109308 O\n0.456767 0.067113 0.224025 O\n0.389654 0.932887 0.442641 O\n0.610346 0.543233 0.890692 O\n0.932887 0.389654 0.557359 O\n0.069359 0.132541 0.821554 O\n0.867459 0.936818 0.154887 O\n0.132541 0.069359 0.178446 O\n0.063182 0.930641 0.488221 O\n0.936818 0.867459 0.845113 O\n0.930641 0.063182 0.511779 O\n0.388755 0.203665 0.583175 O\n0.796335 0.185090 0.916509 O\n0.203665 0.388755 0.416825 O\n0.814910 0.611245 0.249842 O\n0.185090 0.796335 0.083491 O\n0.611245 0.814910 0.750158 O\n0.237648 0.681438 0.498803 O\n0.318562 0.556210 0.832137 O\n0.681438 0.237648 0.501197 O\n0.443790 0.762352 0.165470 O\n0.556210 0.318562 0.167863 O\n0.762352 0.443790 0.834530 O\n0.120083 0.473992 0.953414 O\n0.526008 0.646092 0.286748 O\n0.473992 0.120083 0.046586 O\n0.353908 0.879917 0.620081 O\n0.646092 0.526008 0.713252 O\n0.879917 0.353908 0.379919 O\n0.176511 0.018858 0.922321 O\n0.981142 0.157653 0.255654 O\n0.018858 0.176511 0.077679 O\n0.842347 0.823489 0.588987 O\n0.157653 0.981142 0.744346 O\n0.823489 0.842347 0.411013 O\n0.674826 0.000000 0.333333 O\n0.000000 0.674826 0.666667 O\n0.325174 0.325174 0.000000 O\n0.496472 0.304057 0.807537 O\n0.695943 0.192416 0.140870 O\n0.304057 0.496472 0.192463 O\n0.807584 0.503528 0.474204 O\n0.192416 0.695943 0.859130 O\n0.503528 0.807584 0.525796 O\n0.213549 0.338334 0.620705 O\n0.661666 0.875214 0.954038 O\n0.338334 0.213549 0.379295 O\n0.124786 0.786451 0.287372 O\n0.875214 0.661666 0.045962 O\n0.786451 0.124786 0.712628 O\n0.483442 0.000000 0.833333 O\n0.000000 0.483442 0.166667 O\n0.516558 0.516558 0.500000 O\n",
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"formula_full": "Cu3 H30 Cl9 O54",
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{
"id": "mp-753680",
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"structure_string": "Li3 V1 Cr1 P2 O8 F2\n1.0\n5.292757 0.054089 0.020347\n-0.704620 5.336740 -0.024783\n2.433157 2.506219 6.698351\nLi V Cr P O F\n3 1 1 2 8 2\ndirect\n0.257572 0.588954 0.865310 Li\n0.506637 0.963949 0.509628 Li\n0.725934 0.399040 0.148666 Li\n0.000098 0.000361 0.999227 V\n0.006030 0.003515 0.500521 Cr\n0.334297 0.643505 0.239387 P\n0.667311 0.359899 0.758178 P\n0.130341 0.671726 0.126816 O\n0.277857 0.790753 0.389849 O\n0.324977 0.346000 0.336284 O\n0.636451 0.754285 0.078542 O\n0.364164 0.248577 0.917568 O\n0.676941 0.658531 0.659457 O\n0.726984 0.210960 0.609103 O\n0.867941 0.332136 0.873820 O\n0.167324 0.906527 0.751783 F\n0.836480 0.087701 0.249141 F\n",
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{
"id": "mp-541102",
"created_at": "2022-09-04T14:39:58.033510Z",
"structure_string": "Sc12 C4 I22\n1.0\n9.325467 0.000000 0.000000\n-3.662245 9.810013 0.000000\n-3.665194 -1.601229 14.052464\nSc C I\n12 4 22\ndirect\n0.389645 0.480665 0.120136 Sc\n0.610355 0.519335 0.879864 Sc\n0.436365 0.776868 0.264752 Sc\n0.563635 0.223132 0.735248 Sc\n0.623698 0.586554 0.353320 Sc\n0.376302 0.413446 0.646680 Sc\n0.823467 0.654759 0.203675 Sc\n0.176533 0.345241 0.796325 Sc\n0.631172 0.838719 0.111561 Sc\n0.368828 0.161281 0.888439 Sc\n0.856659 0.943643 0.347914 Sc\n0.143341 0.056357 0.652086 Sc\n0.432369 0.346160 0.798692 C\n0.567631 0.653840 0.201308 C\n0.314095 0.230217 0.738366 C\n0.685905 0.769783 0.261634 C\n0.386692 0.312732 0.269853 I\n0.613308 0.687268 0.730147 I\n0.133667 0.555575 0.149804 I\n0.866333 0.444425 0.850196 I\n0.626082 0.380205 0.061464 I\n0.373918 0.619795 0.938536 I\n0.120947 0.205311 0.481812 I\n0.879053 0.794689 0.518188 I\n0.618410 0.031118 0.389973 I\n0.381590 0.968882 0.610027 I\n0.117973 0.870241 0.306260 I\n0.882027 0.129759 0.693740 I\n0.138827 0.523072 0.654890 I\n0.861173 0.476928 0.345110 I\n0.609555 0.365937 0.570352 I\n0.390445 0.634063 0.429648 I\n0.148143 0.223814 0.975432 I\n0.851857 0.776186 0.024568 I\n0.616626 0.061219 0.893037 I\n0.383374 0.938781 0.106963 I\n0.130338 0.894796 0.813109 I\n0.869662 0.105204 0.186891 I\n",
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{
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"structure_string": "Y1 Mg30 Si1 O32\n1.0\n8.644583 0.000000 0.000000\n0.000000 8.644583 0.000000\n0.000000 0.000000 8.643715\nY Mg Si O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.255242 0.255242 0.000000 Mg\n0.744758 0.255242 0.000000 Mg\n0.255242 0.744758 0.000000 Mg\n0.744758 0.744758 0.000000 Mg\n0.250844 0.250844 0.500000 Mg\n0.749156 0.250844 0.500000 Mg\n0.250844 0.749156 0.500000 Mg\n0.749156 0.749156 0.500000 Mg\n0.256329 0.000000 0.256296 Mg\n0.743671 0.000000 0.256296 Mg\n0.249586 0.500000 0.252015 Mg\n0.750414 0.500000 0.252015 Mg\n0.256329 0.000000 0.743704 Mg\n0.743671 0.000000 0.743704 Mg\n0.249586 0.500000 0.747985 Mg\n0.750414 0.500000 0.747985 Mg\n0.000000 0.256329 0.256296 Mg\n0.500000 0.249586 0.252015 Mg\n0.000000 0.743671 0.256296 Mg\n0.500000 0.750414 0.252015 Mg\n0.000000 0.256329 0.743704 Mg\n0.500000 0.249586 0.747985 Mg\n0.000000 0.743671 0.743704 Mg\n0.500000 0.750414 0.747985 Mg\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.258885 O\n0.500000 0.000000 0.251906 O\n0.000000 0.500000 0.251906 O\n0.500000 0.500000 0.260358 O\n0.000000 0.000000 0.741115 O\n0.500000 0.000000 0.748094 O\n0.000000 0.500000 0.748094 O\n0.500000 0.500000 0.739642 O\n0.250000 0.250000 0.248526 O\n0.750000 0.250000 0.248526 O\n0.250000 0.750000 0.248526 O\n0.750000 0.750000 0.248526 O\n0.250000 0.250000 0.751474 O\n0.750000 0.250000 0.751474 O\n0.250000 0.750000 0.751474 O\n0.750000 0.750000 0.751474 O\n0.257944 0.000000 0.000000 O\n0.742056 0.000000 0.000000 O\n0.239896 0.500000 0.000000 O\n0.760104 0.500000 0.000000 O\n0.250875 0.000000 0.500000 O\n0.749125 0.000000 0.500000 O\n0.248836 0.500000 0.500000 O\n0.751164 0.500000 0.500000 O\n0.000000 0.257944 0.000000 O\n0.500000 0.239896 0.000000 O\n0.000000 0.742056 0.000000 O\n0.500000 0.760104 0.000000 O\n0.000000 0.250875 0.500000 O\n0.500000 0.248836 0.500000 O\n0.000000 0.749125 0.500000 O\n0.500000 0.751164 0.500000 O\n",
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{
"id": "mp-1105609",
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"structure_string": "Tb12 Rh4\n1.0\n6.287610 0.000000 0.000000\n0.000000 7.165334 0.000000\n0.000000 0.000000 9.564792\nTb Rh\n12 4\ndirect\n0.330542 0.677797 0.063341 Tb\n0.169458 0.177797 0.436659 Tb\n0.669458 0.322203 0.563341 Tb\n0.830542 0.822203 0.936659 Tb\n0.669458 0.322203 0.936659 Tb\n0.830542 0.822203 0.563341 Tb\n0.330542 0.677797 0.436659 Tb\n0.169458 0.177797 0.063341 Tb\n0.865879 0.531498 0.250000 Tb\n0.634121 0.031498 0.250000 Tb\n0.134121 0.468502 0.750000 Tb\n0.365879 0.968502 0.750000 Tb\n0.061713 0.881813 0.250000 Rh\n0.438287 0.381813 0.250000 Rh\n0.938287 0.118187 0.750000 Rh\n0.561713 0.618187 0.750000 Rh\n",
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{
"id": "mp-553971",
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"structure_string": "Rb12 Mn4 O12\n1.0\n7.046029 0.023377 -0.003387\n-1.127198 7.093100 -0.003944\n-0.005771 -0.007620 12.046008\nRb Mn O\n12 4 12\ndirect\n0.007059 0.077727 0.272115 Rb\n0.993077 0.922351 0.727962 Rb\n0.007103 0.577730 0.227834 Rb\n0.993021 0.422374 0.772093 Rb\n0.531216 0.505582 0.710470 Rb\n0.531255 0.005577 0.789546 Rb\n0.468890 0.494523 0.289564 Rb\n0.468852 0.994532 0.210515 Rb\n0.343123 0.641440 0.989782 Rb\n0.343053 0.141380 0.510290 Rb\n0.656967 0.858577 0.489747 Rb\n0.656983 0.358635 0.010302 Rb\n0.843337 0.845334 0.003670 Mn\n0.156602 0.654767 0.503434 Mn\n0.156666 0.154719 0.996451 Mn\n0.843233 0.345129 0.496352 Mn\n0.270104 0.801046 0.383127 O\n0.729603 0.698760 0.883141 O\n0.729861 0.198900 0.616815 O\n0.270434 0.301293 0.116893 O\n0.895923 0.095301 0.930399 O\n0.103905 0.404512 0.430212 O\n0.895923 0.595327 0.569624 O\n0.104024 0.904733 0.069685 O\n0.300318 0.770691 0.624948 O\n0.699459 0.229054 0.374948 O\n0.699668 0.729325 0.125061 O\n0.300343 0.270680 0.875020 O\n",
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{
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{
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