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{
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{
"id": "mp-1197836",
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"structure_string": "Co4 C4 I4 N20 O16\n1.0\n8.558906 0.000000 0.000000\n0.000000 9.564132 0.000000\n0.000000 1.081117 12.887152\nCo C I N O\n4 4 4 20 16\ndirect\n0.006464 0.748620 0.775381 Co\n0.506464 0.251380 0.724619 Co\n0.993536 0.251380 0.224619 Co\n0.493536 0.748620 0.275381 Co\n0.370271 0.689089 0.876834 C\n0.870271 0.310911 0.623166 C\n0.629729 0.310911 0.123166 C\n0.129729 0.689089 0.376834 C\n0.779556 0.813986 0.555410 I\n0.279556 0.186014 0.944590 I\n0.220444 0.186014 0.444590 I\n0.720444 0.813986 0.055410 I\n0.378883 0.756909 0.591260 N\n0.878883 0.243091 0.908740 N\n0.621117 0.243091 0.408740 N\n0.121117 0.756909 0.091260 N\n0.010192 0.587287 0.793554 N\n0.510192 0.412713 0.706446 N\n0.989808 0.412713 0.206446 N\n0.489808 0.587287 0.293554 N\n0.941671 0.842464 0.449122 N\n0.441671 0.157536 0.050878 N\n0.058329 0.157536 0.550878 N\n0.558329 0.842464 0.949122 N\n0.159329 0.840443 0.814623 N\n0.659329 0.159557 0.685377 N\n0.840671 0.159557 0.185377 N\n0.340671 0.840443 0.314623 N\n0.305429 0.661994 0.584534 N\n0.805429 0.338006 0.915466 N\n0.694571 0.338006 0.415466 N\n0.194571 0.661994 0.084534 N\n0.313857 0.582794 0.850589 O\n0.813857 0.417206 0.649411 O\n0.686143 0.417206 0.149411 O\n0.186143 0.582794 0.350589 O\n0.298691 0.828799 0.855328 O\n0.798691 0.171201 0.644672 O\n0.701309 0.171201 0.144672 O\n0.201309 0.828799 0.355328 O\n0.504903 0.698499 0.926791 O\n0.004903 0.301501 0.573209 O\n0.495097 0.301501 0.073209 O\n0.995097 0.698499 0.426791 O\n0.852525 0.829524 0.703500 O\n0.352525 0.170476 0.796500 O\n0.147475 0.170476 0.296500 O\n0.647475 0.829524 0.203500 O\n",
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{
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{
"id": "mp-1199772",
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"structure_string": "Sb16 Xe8 Cl8 F88\n1.0\n7.560516 0.000000 0.000000\n0.000000 17.796130 0.000000\n0.000000 0.000000 18.336855\nSb Xe Cl F\n16 8 8 88\ndirect\n0.143295 0.413394 0.831483 Sb\n0.856705 0.913394 0.168517 Sb\n0.643295 0.913394 0.668517 Sb\n0.356705 0.413394 0.331483 Sb\n0.555095 0.385101 0.700822 Sb\n0.444905 0.885101 0.299178 Sb\n0.055095 0.885101 0.799178 Sb\n0.944905 0.385101 0.200822 Sb\n0.448566 0.158011 0.531157 Sb\n0.551434 0.658011 0.468843 Sb\n0.948566 0.658011 0.968843 Sb\n0.051434 0.158011 0.031157 Sb\n0.865491 0.136675 0.402667 Sb\n0.134509 0.636675 0.597333 Sb\n0.365491 0.636675 0.097333 Sb\n0.634509 0.136675 0.902667 Sb\n0.658412 0.393761 0.976917 Xe\n0.341588 0.893761 0.023083 Xe\n0.158412 0.893761 0.523083 Xe\n0.841588 0.393761 0.476917 Xe\n0.341053 0.159882 0.256095 Xe\n0.658947 0.659882 0.743905 Xe\n0.841053 0.659882 0.243905 Xe\n0.158947 0.159882 0.756095 Xe\n0.395758 0.382338 0.045196 Cl\n0.604242 0.882338 0.954804 Cl\n0.895758 0.882338 0.454804 Cl\n0.104242 0.382338 0.545196 Cl\n0.604871 0.157741 0.187476 Cl\n0.395129 0.657741 0.812524 Cl\n0.104871 0.657741 0.312524 Cl\n0.895129 0.157741 0.687476 Cl\n0.272956 0.482574 0.889314 F\n0.727044 0.982574 0.110686 F\n0.772956 0.982574 0.610686 F\n0.227044 0.482574 0.389314 F\n0.020538 0.493675 0.786963 F\n0.979462 0.993675 0.213037 F\n0.520538 0.993675 0.713037 F\n0.479462 0.493675 0.286963 F\n0.045740 0.343813 0.764247 F\n0.954260 0.843813 0.235753 F\n0.545740 0.843813 0.735753 F\n0.454260 0.343813 0.264247 F\n0.336527 0.431102 0.752965 F\n0.663473 0.931102 0.247035 F\n0.836527 0.931102 0.747035 F\n0.163473 0.431102 0.252965 F\n0.286671 0.334456 0.868858 F\n0.713329 0.834456 0.131142 F\n0.786671 0.834456 0.631142 F\n0.213329 0.334456 0.368858 F\n0.964618 0.396933 0.904957 F\n0.035382 0.896933 0.095043 F\n0.464618 0.896933 0.595043 F\n0.535382 0.396933 0.404957 F\n0.419096 0.393600 0.613186 F\n0.580904 0.893600 0.386814 F\n0.919096 0.893600 0.886814 F\n0.080904 0.393600 0.113186 F\n0.752517 0.344262 0.651287 F\n0.247483 0.844262 0.348713 F\n0.252517 0.844262 0.848713 F\n0.747483 0.344262 0.151287 F\n0.657989 0.384478 0.795370 F\n0.342011 0.884478 0.204630 F\n0.157989 0.884478 0.704630 F\n0.842011 0.384478 0.295370 F\n0.629848 0.486146 0.688413 F\n0.370152 0.986146 0.311587 F\n0.129848 0.986146 0.811587 F\n0.870152 0.486146 0.188413 F\n0.452207 0.289525 0.718713 F\n0.547793 0.789525 0.281287 F\n0.952207 0.789525 0.781287 F\n0.047793 0.289525 0.218713 F\n0.351908 0.157390 0.435548 F\n0.648092 0.657390 0.564452 F\n0.851908 0.657390 0.064452 F\n0.148092 0.157390 0.935548 F\n0.242581 0.193035 0.578990 F\n0.757419 0.693035 0.421010 F\n0.742581 0.693035 0.921010 F\n0.257419 0.193035 0.078990 F\n0.678687 0.118052 0.483026 F\n0.321313 0.618052 0.516974 F\n0.178687 0.618052 0.016974 F\n0.821313 0.118052 0.983026 F\n0.579393 0.152140 0.620348 F\n0.420607 0.652140 0.379652 F\n0.079393 0.652140 0.879652 F\n0.920607 0.152140 0.120348 F\n0.540214 0.255875 0.514741 F\n0.459786 0.755875 0.485259 F\n0.040214 0.755875 0.985259 F\n0.959786 0.255875 0.014741 F\n0.386866 0.055107 0.541788 F\n0.613134 0.555107 0.458212 F\n0.886866 0.555107 0.958212 F\n0.113134 0.055107 0.041788 F\n0.749288 0.060191 0.349527 F\n0.250712 0.560191 0.650473 F\n0.249288 0.560191 0.150473 F\n0.750712 0.060191 0.849527 F\n0.956501 0.212791 0.464474 F\n0.043499 0.712791 0.535526 F\n0.456501 0.712791 0.035526 F\n0.543499 0.212791 0.964474 F\n0.000390 0.063104 0.452411 F\n0.999610 0.563104 0.547589 F\n0.500390 0.563104 0.047589 F\n0.499610 0.063104 0.952411 F\n0.709787 0.209104 0.361689 F\n0.290213 0.709104 0.638311 F\n0.209787 0.709104 0.138311 F\n0.790213 0.209104 0.861689 F\n0.040307 0.152136 0.327312 F\n0.959693 0.652136 0.672688 F\n0.540307 0.652136 0.172688 F\n0.459693 0.152136 0.827312 F\n",
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],
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"formula_full": "Sb16 Xe8 Cl8 F88",
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},
{
"id": "mp-1100621",
"created_at": "2022-09-04T14:48:21.573803Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n1.449647 19.300841 0.000000\n-1.449647 19.300841 0.000000\n0.000000 0.102394 5.186349\nLi Mn Co O\n9 2 5 16\ndirect\n0.437302 0.437302 0.180694 Li\n0.311003 0.311003 0.568478 Li\n0.185322 0.185322 0.944237 Li\n0.066198 0.066198 0.302387 Li\n0.937749 0.937749 0.691791 Li\n0.811145 0.811145 0.059887 Li\n0.685038 0.685038 0.451876 Li\n0.566684 0.566684 0.799481 Li\n0.625161 0.625161 0.123521 Li\n0.001242 0.001242 0.996824 Mn\n0.874835 0.874835 0.375780 Mn\n0.749286 0.749286 0.752844 Co\n0.500286 0.500286 0.495678 Co\n0.374715 0.374715 0.875789 Co\n0.249004 0.249004 0.252596 Co\n0.125217 0.125217 0.624529 Co\n0.471895 0.471895 0.863127 O\n0.346681 0.346681 0.228180 O\n0.221200 0.221200 0.600148 O\n0.097912 0.097912 0.916943 O\n0.972028 0.972028 0.362811 O\n0.845131 0.845131 0.740286 O\n0.720177 0.720177 0.098300 O\n0.597654 0.597654 0.482495 O\n0.403406 0.403406 0.522130 O\n0.278189 0.278189 0.907666 O\n0.151987 0.151987 0.334406 O\n0.027875 0.027875 0.629351 O\n0.905002 0.905002 0.011463 O\n0.778276 0.778276 0.404340 O\n0.652406 0.652406 0.767234 O\n0.529995 0.529995 0.134728 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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{
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{
"id": "mp-1190558",
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"structure_string": "Mn2 Ni1 O14\n1.0\n-0.048076 -0.027757 -5.208384\n-3.756658 -6.706949 -0.072877\n-3.930059 6.807062 0.000000\nMn Ni O\n2 1 14\ndirect\n0.496844 0.666253 0.333126 Mn\n0.004646 0.331912 0.665956 Mn\n0.737488 0.000196 0.000098 Ni\n0.185028 0.668384 0.334192 O\n0.588816 0.901478 0.450739 O\n0.602010 0.552222 0.443563 O\n0.602010 0.552222 0.108660 O\n0.692195 0.334357 0.667179 O\n0.110186 0.100257 0.550129 O\n0.102618 0.449108 0.557261 O\n0.102618 0.449108 0.891847 O\n0.995516 0.186192 0.093096 O\n0.970702 0.927108 0.125173 O\n0.970702 0.927108 0.801935 O\n0.483217 0.810485 0.905243 O\n0.506752 0.071804 0.873505 O\n0.506752 0.071804 0.198298 O\n",
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{
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"structure_string": "Y2 Zn40 Ru4\n1.0\n0.000000 7.141081 7.141081\n7.141081 0.000000 7.141081\n7.141081 7.141081 0.000000\nY Zn Ru\n2 40 4\ndirect\n0.500000 0.500000 0.500000 Y\n0.750000 0.750000 0.750000 Y\n0.299625 0.299625 0.832115 Zn\n0.299625 0.568636 0.832115 Zn\n0.950375 0.681364 0.950375 Zn\n0.950375 0.417885 0.950375 Zn\n0.299625 0.299625 0.568636 Zn\n0.950375 0.950375 0.417885 Zn\n0.125000 0.625000 0.625000 Zn\n0.386384 0.113616 0.113616 Zn\n0.625000 0.125000 0.625000 Zn\n0.568636 0.299625 0.832115 Zn\n0.950375 0.417885 0.681364 Zn\n0.113616 0.386384 0.113616 Zn\n0.299625 0.832115 0.568636 Zn\n0.417885 0.681364 0.950375 Zn\n0.386384 0.386384 0.113616 Zn\n0.136384 0.863616 0.863616 Zn\n0.832115 0.568636 0.299625 Zn\n0.568636 0.299625 0.299625 Zn\n0.568636 0.832115 0.299625 Zn\n0.386384 0.113616 0.386384 Zn\n0.832115 0.299625 0.568636 Zn\n0.299625 0.568636 0.299625 Zn\n0.681364 0.950375 0.950375 Zn\n0.863616 0.863616 0.136384 Zn\n0.625000 0.625000 0.125000 Zn\n0.113616 0.113616 0.386384 Zn\n0.863616 0.136384 0.136384 Zn\n0.950375 0.950375 0.681364 Zn\n0.681364 0.417885 0.950375 Zn\n0.136384 0.136384 0.863616 Zn\n0.625000 0.625000 0.625000 Zn\n0.950375 0.681364 0.417885 Zn\n0.681364 0.950375 0.417885 Zn\n0.113616 0.386384 0.386384 Zn\n0.863616 0.136384 0.863616 Zn\n0.832115 0.299625 0.299625 Zn\n0.136384 0.863616 0.136384 Zn\n0.417885 0.950375 0.681364 Zn\n0.299625 0.832115 0.299625 Zn\n0.417885 0.950375 0.950375 Zn\n0.125000 0.625000 0.125000 Ru\n0.125000 0.125000 0.625000 Ru\n0.125000 0.125000 0.125000 Ru\n0.625000 0.125000 0.125000 Ru\n",
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{
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