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{
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{
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{
"id": "mp-1182658",
"created_at": "2022-09-04T14:39:33.645074Z",
"structure_string": "Cr4 Ni2 H40 N4 O28\n1.0\n18.636714 0.000000 0.000000\n0.000000 9.855623 0.000000\n0.000000 8.148086 12.481581\nCr Ni H N O\n4 2 40 4 28\ndirect\n0.362772 0.325819 0.880741 Cr\n0.862772 0.674181 0.619259 Cr\n0.637228 0.674181 0.119259 Cr\n0.137228 0.325819 0.380741 Cr\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.234179 0.043593 0.395308 H\n0.734179 0.956407 0.104692 H\n0.765821 0.956407 0.604692 H\n0.265821 0.043593 0.895308 H\n0.199668 0.597429 0.747457 H\n0.699668 0.402571 0.752543 H\n0.800332 0.402571 0.252543 H\n0.300332 0.597429 0.247457 H\n0.311852 0.397694 0.178961 H\n0.811852 0.602306 0.321039 H\n0.688148 0.602306 0.821039 H\n0.188148 0.397694 0.678961 H\n0.684567 0.610437 0.867965 H\n0.184567 0.389563 0.632035 H\n0.315433 0.389563 0.132035 H\n0.815433 0.610437 0.367965 H\n0.519419 0.767656 0.813093 H\n0.019419 0.232344 0.686907 H\n0.480581 0.232344 0.186907 H\n0.980581 0.767656 0.313093 H\n0.261284 0.749439 0.222985 H\n0.761284 0.250561 0.277015 H\n0.738716 0.250561 0.777015 H\n0.238716 0.749439 0.722985 H\n0.495488 0.810296 0.584406 H\n0.995488 0.189704 0.915594 H\n0.504512 0.189704 0.415594 H\n0.004512 0.810296 0.084406 H\n0.949543 0.040838 0.542377 H\n0.449543 0.959162 0.957623 H\n0.050457 0.959162 0.457623 H\n0.550457 0.040838 0.042377 H\n0.545549 0.665062 0.236079 H\n0.045549 0.334938 0.263921 H\n0.454451 0.334938 0.763921 H\n0.954451 0.665062 0.736079 H\n0.022916 0.261276 0.724005 H\n0.522916 0.738724 0.775995 H\n0.977084 0.738724 0.275995 H\n0.477084 0.261276 0.224005 H\n0.412018 0.392075 0.958697 N\n0.912018 0.607925 0.541303 N\n0.587982 0.607925 0.041303 N\n0.087982 0.392075 0.458697 N\n0.287446 0.419172 0.850250 O\n0.787446 0.580828 0.649750 O\n0.712554 0.580828 0.149750 O\n0.212554 0.419172 0.350250 O\n0.397764 0.248780 0.029525 O\n0.897764 0.751220 0.470475 O\n0.602236 0.751220 0.970475 O\n0.102236 0.248780 0.529525 O\n0.413159 0.397296 0.761889 O\n0.913159 0.602704 0.738111 O\n0.586841 0.602704 0.238111 O\n0.086841 0.397296 0.261889 O\n0.310760 0.096102 0.858226 O\n0.810760 0.903898 0.641774 O\n0.689240 0.903898 0.141774 O\n0.189240 0.096102 0.358226 O\n0.487839 0.921068 0.010967 O\n0.987839 0.078932 0.489033 O\n0.512161 0.078932 0.989033 O\n0.012161 0.921068 0.510967 O\n0.693991 0.285439 0.791630 O\n0.193991 0.714561 0.708370 O\n0.306009 0.714561 0.208370 O\n0.806009 0.285439 0.291630 O\n0.153678 0.110327 0.439869 O\n0.653678 0.889673 0.060131 O\n0.846322 0.889673 0.560131 O\n0.346322 0.110327 0.939869 O\n",
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"formula_full": "Cr4 Ni2 H40 N4 O28",
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{
"id": "mp-23547",
"created_at": "2022-09-04T14:39:33.663059Z",
"structure_string": "Ba7 Cl2 F12\n1.0\n5.399729 -9.352605 0.000000\n5.399729 9.352605 0.000000\n0.000000 0.000000 4.235524\nBa Cl F\n7 2 12\ndirect\n0.954188 0.220964 0.500000 Ba\n0.779036 0.733224 0.500000 Ba\n0.266776 0.045812 0.500000 Ba\n0.077527 0.635561 0.000000 Ba\n0.364439 0.441966 0.000000 Ba\n0.558034 0.922473 0.000000 Ba\n0.666667 0.333333 0.000000 Ba\n0.333333 0.666667 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.714952 0.944735 0.500000 F\n0.055265 0.770218 0.500000 F\n0.229782 0.285048 0.500000 F\n0.881423 0.429005 0.500000 F\n0.570995 0.452418 0.500000 F\n0.547582 0.118577 0.500000 F\n0.096812 0.397068 0.000000 F\n0.602932 0.699743 0.000000 F\n0.300257 0.903188 0.000000 F\n0.787748 0.177987 0.000000 F\n0.822013 0.609761 0.000000 F\n0.390239 0.212252 0.000000 F\n",
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{
"id": "mp-776697",
"created_at": "2022-09-04T14:39:33.678397Z",
"structure_string": "Na10 Bi4 As2 C8 O32\n1.0\n0.000000 7.381855 7.513700\n7.348335 0.000000 7.513700\n7.348335 7.381855 0.000000\nNa Bi As C O\n10 4 2 8 32\ndirect\n0.821490 0.422558 0.568094 Na\n0.063393 0.682088 0.427361 Na\n0.682088 0.063393 0.827158 Na\n0.062142 0.681906 0.827442 Na\n0.822639 0.422842 0.186607 Na\n0.422558 0.821490 0.187858 Na\n0.422842 0.822639 0.567912 Na\n0.681283 0.681283 0.818717 Na\n0.681906 0.062142 0.428510 Na\n0.431283 0.431283 0.568717 Na\n0.753239 0.241871 0.003647 Bi\n0.246353 0.248757 0.496761 Bi\n0.241871 0.753239 0.001243 Bi\n0.248757 0.246353 0.008129 Bi\n0.874652 0.874652 0.625348 As\n0.624652 0.624652 0.375348 As\n0.475371 0.087081 0.217330 C\n0.087081 0.475371 0.220218 C\n0.469899 0.471122 0.221582 C\n0.471122 0.469899 0.837397 C\n0.032670 0.029782 0.774629 C\n0.029782 0.032670 0.162919 C\n0.028418 0.412603 0.780101 C\n0.412603 0.028418 0.778878 C\n0.901633 0.148139 0.783936 O\n0.361706 0.078040 0.208478 O\n0.078040 0.361706 0.351776 O\n0.040951 0.414483 0.647895 O\n0.083708 0.466064 0.101861 O\n0.806575 0.805671 0.558889 O\n0.805671 0.806575 0.828865 O\n0.099473 0.598191 0.208401 O\n0.598191 0.099473 0.093935 O\n0.354072 0.458535 0.352246 O\n0.458535 0.354072 0.835147 O\n0.790621 0.074820 0.567130 O\n0.074820 0.790621 0.567428 O\n0.041522 0.898224 0.888294 O\n0.898224 0.041522 0.171960 O\n0.353330 0.602105 0.835517 O\n0.148139 0.901633 0.166292 O\n0.600580 0.455691 0.838869 O\n0.455691 0.600580 0.104861 O\n0.691111 0.421135 0.443425 O\n0.421135 0.691111 0.444329 O\n0.041599 0.156065 0.150527 O\n0.156065 0.041599 0.651809 O\n0.897754 0.414853 0.895928 O\n0.414853 0.897754 0.791465 O\n0.682572 0.682870 0.175179 O\n0.682870 0.682572 0.459379 O\n0.414483 0.040951 0.896670 O\n0.466064 0.083708 0.348367 O\n0.411131 0.145139 0.649420 O\n0.145139 0.411131 0.794309 O\n0.602105 0.353330 0.209049 O\n",
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{
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"structure_string": "Sm2 H6 O6\n1.0\n3.635022 0.000000 0.000000\n0.000000 6.413617 0.000000\n0.000000 3.147449 5.686947\nSm H O\n2 6 6\ndirect\n0.750000 0.659993 0.672509 Sm\n0.250000 0.340007 0.327491 Sm\n0.750000 0.727600 0.136217 H\n0.750000 0.129256 0.144176 H\n0.750000 0.141866 0.696484 H\n0.250000 0.272400 0.863783 H\n0.250000 0.870744 0.855824 H\n0.250000 0.858134 0.303516 H\n0.750000 0.609713 0.083135 O\n0.750000 0.083600 0.310862 O\n0.750000 0.314339 0.595058 O\n0.250000 0.390287 0.916865 O\n0.250000 0.916400 0.689138 O\n0.250000 0.685661 0.404942 O\n",
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{
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{
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"structure_string": "Li7 Mn4 Co1 O12\n1.0\n2.976470 0.000000 0.000000\n-1.212133 4.952425 0.000000\n-0.981282 -1.933461 14.908417\nLi Mn Co O\n7 4 1 12\ndirect\n0.199918 0.426773 0.927187 Li\n0.800082 0.573227 0.072813 Li\n0.513689 0.764417 0.249709 Li\n0.164560 0.909950 0.417570 Li\n0.835440 0.090050 0.582430 Li\n0.486311 0.235583 0.750291 Li\n0.500000 0.000000 0.000000 Li\n0.844278 0.833084 0.839328 Mn\n0.155722 0.166916 0.160672 Mn\n0.824894 0.329948 0.334077 Mn\n0.175106 0.670052 0.665923 Mn\n0.500000 0.500000 0.500000 Co\n0.457660 0.081470 0.869398 O\n0.175092 0.295216 0.052561 O\n0.788114 0.422997 0.209052 O\n0.524419 0.612313 0.379884 O\n0.174247 0.768437 0.542850 O\n0.864645 0.944048 0.712194 O\n0.824908 0.704784 0.947439 O\n0.542340 0.918530 0.130602 O\n0.135355 0.055952 0.287806 O\n0.825753 0.231563 0.457150 O\n0.475581 0.387687 0.620116 O\n0.211886 0.577003 0.790948 O\n",
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