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{
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"structure_string": "Cu4 P4 O14\n1.0\n4.104225 3.592223 0.000000\n-4.104225 3.592223 0.000000\n0.000000 3.420594 8.730941\nCu P O\n4 4 14\ndirect\n0.288758 0.661674 0.991324 Cu\n0.338326 0.711242 0.508676 Cu\n0.711242 0.338326 0.008676 Cu\n0.661674 0.288758 0.491324 Cu\n0.200767 0.178273 0.292944 P\n0.821727 0.799233 0.207056 P\n0.799233 0.821727 0.707056 P\n0.178273 0.200767 0.792944 P\n0.011559 0.310095 0.376989 O\n0.689905 0.988441 0.123011 O\n0.988441 0.689905 0.623011 O\n0.310095 0.011559 0.876989 O\n0.375683 0.064562 0.385918 O\n0.935438 0.624317 0.114082 O\n0.624317 0.935438 0.614082 O\n0.064562 0.375683 0.885918 O\n0.939490 0.060510 0.750000 O\n0.060510 0.939490 0.250000 O\n0.370010 0.371469 0.637785 O\n0.628531 0.629990 0.862215 O\n0.629990 0.628531 0.362215 O\n0.371469 0.370010 0.137785 O\n",
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{
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},
{
"id": "mp-26017",
"created_at": "2022-09-04T14:43:15.931765Z",
"structure_string": "Li4 Co4 P4 O16\n1.0\n10.195903 0.000000 0.000000\n0.000000 5.066096 0.000000\n0.000000 5.016594 6.804830\nLi Co P O\n4 4 4 16\ndirect\n0.344950 0.705450 0.492619 Li\n0.655050 0.294550 0.507381 Li\n0.155050 0.705450 0.992619 Li\n0.844950 0.294550 0.007381 Li\n0.843914 0.794784 0.508972 Co\n0.343914 0.205216 0.991028 Co\n0.156086 0.205216 0.491028 Co\n0.656086 0.794784 0.008972 Co\n0.595439 0.550989 0.754904 P\n0.095439 0.449011 0.745096 P\n0.404561 0.449011 0.245096 P\n0.904561 0.550989 0.254904 P\n0.843225 0.241948 0.444458 O\n0.656775 0.241948 0.944458 O\n0.661534 0.617049 0.568841 O\n0.338466 0.382951 0.431159 O\n0.161534 0.382951 0.931159 O\n0.946118 0.499354 0.753995 O\n0.553882 0.499354 0.253995 O\n0.446118 0.500646 0.746005 O\n0.878267 0.849778 0.258802 O\n0.156775 0.758052 0.555542 O\n0.621733 0.849778 0.758802 O\n0.838466 0.617049 0.068841 O\n0.378267 0.150222 0.241198 O\n0.343225 0.758052 0.055542 O\n0.121733 0.150222 0.741198 O\n0.053882 0.500646 0.246005 O\n",
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{
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"created_at": "2022-09-04T14:43:15.921769Z",
"structure_string": "K1 Dy1 Ti4 O12\n1.0\n0.000000 -3.874518 -3.878503\n0.000000 -3.874518 3.878503\n-7.760743 0.000000 0.000000\nK Dy Ti O\n1 1 4 12\ndirect\n0.013059 0.986941 0.500000 K\n0.477284 0.522716 -0.000000 Dy\n0.505182 0.010841 0.256552 Ti\n0.505182 0.010841 0.743448 Ti\n0.989159 0.494818 0.743448 Ti\n0.989159 0.494818 0.256552 Ti\n0.243800 0.242026 0.230561 O\n0.757974 0.756200 0.230561 O\n0.757974 0.756200 0.769439 O\n0.243800 0.242026 0.769439 O\n0.273777 0.726223 0.248962 O\n0.722052 0.277948 0.202503 O\n0.722052 0.277948 0.797497 O\n0.273777 0.726223 0.751038 O\n0.479189 0.948409 -0.000000 O\n0.517994 0.014605 0.500000 O\n0.051591 0.520811 -0.000000 O\n0.985395 0.482006 0.500000 O\n",
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"formula_full": "K1 Dy1 Ti4 O12",
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"energy": -148.8847301,
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{
"id": "mp-1036804",
"created_at": "2022-09-04T14:43:15.962537Z",
"structure_string": "Mg30 Ti1 V1 O32\n1.0\n8.533371 0.000000 0.000000\n0.000000 8.533371 0.000000\n0.000000 0.000000 8.557714\nMg Ti V O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.248882 0.248882 0.000000 Mg\n0.248882 0.751118 0.000000 Mg\n0.751118 0.248882 0.000000 Mg\n0.751118 0.751118 0.000000 Mg\n0.250127 0.250127 0.500000 Mg\n0.250127 0.749873 0.500000 Mg\n0.749873 0.250127 0.500000 Mg\n0.749873 0.749873 0.500000 Mg\n0.000000 0.250706 0.250825 Mg\n0.000000 0.749294 0.250825 Mg\n0.500000 0.250144 0.251072 Mg\n0.500000 0.749856 0.251072 Mg\n0.000000 0.250706 0.749175 Mg\n0.000000 0.749294 0.749175 Mg\n0.500000 0.250144 0.748928 Mg\n0.500000 0.749856 0.748928 Mg\n0.250706 0.000000 0.250825 Mg\n0.250144 0.500000 0.251072 Mg\n0.749294 0.000000 0.250825 Mg\n0.749856 0.500000 0.251072 Mg\n0.250706 0.000000 0.749175 Mg\n0.250144 0.500000 0.748928 Mg\n0.749294 0.000000 0.749175 Mg\n0.749856 0.500000 0.748928 Mg\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.254869 O\n0.000000 0.500000 0.250450 O\n0.500000 0.000000 0.250450 O\n0.500000 0.500000 0.259369 O\n0.000000 0.000000 0.745131 O\n0.000000 0.500000 0.749550 O\n0.500000 0.000000 0.749550 O\n0.500000 0.500000 0.740631 O\n0.249927 0.249927 0.249226 O\n0.249927 0.750073 0.249226 O\n0.750073 0.249927 0.249226 O\n0.750073 0.750073 0.249226 O\n0.249927 0.249927 0.750774 O\n0.249927 0.750073 0.750774 O\n0.750073 0.249927 0.750774 O\n0.750073 0.750073 0.750774 O\n0.000000 0.254972 0.000000 O\n0.000000 0.745028 0.000000 O\n0.500000 0.246998 0.000000 O\n0.500000 0.753002 0.000000 O\n0.000000 0.250261 0.500000 O\n0.000000 0.749739 0.500000 O\n0.500000 0.248951 0.500000 O\n0.500000 0.751049 0.500000 O\n0.254972 0.000000 0.000000 O\n0.246998 0.500000 0.000000 O\n0.745028 0.000000 0.000000 O\n0.753002 0.500000 0.000000 O\n0.250261 0.000000 0.500000 O\n0.248951 0.500000 0.500000 O\n0.749739 0.000000 0.500000 O\n0.751049 0.500000 0.500000 O\n",
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},
{
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"structure_string": "Gd1 Ga3 B4 O12\n1.0\n3.740866 -4.784122 0.000000\n3.740866 4.784122 0.000000\n-2.377456 0.000000 5.588346\nGd Ga B O\n1 3 4 12\ndirect\n0.500000 0.500000 0.500000 Gd\n0.048896 0.951104 0.500000 Ga\n0.951104 0.500000 0.048896 Ga\n0.500000 0.048896 0.951104 Ga\n0.448695 0.551305 0.000000 B\n0.551305 0.000000 0.448695 B\n0.000000 0.448695 0.551305 B\n0.000000 0.000000 0.000000 B\n0.290389 0.524722 0.127775 O\n0.524722 0.127775 0.290389 O\n0.709611 0.872225 0.475278 O\n0.127775 0.290389 0.524722 O\n0.475278 0.709611 0.872225 O\n0.872225 0.475278 0.709611 O\n0.855025 0.144975 0.000000 O\n0.144975 0.000000 0.855025 O\n0.000000 0.855025 0.144975 O\n0.593573 0.406427 0.000000 O\n0.406427 0.000000 0.593573 O\n0.000000 0.593573 0.406427 O\n",
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{
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"structure_string": "Li8 Cu12 F32\n1.0\n8.531903 0.000000 0.000000\n0.000000 8.531903 0.000000\n0.000000 0.000000 8.531903\nLi Cu F\n8 12 32\ndirect\n0.007101 0.492899 0.507101 Li\n0.242899 0.742899 0.757101 Li\n0.257101 0.257101 0.257101 Li\n0.492899 0.507101 0.007101 Li\n0.507101 0.007101 0.492899 Li\n0.742899 0.757101 0.242899 Li\n0.757101 0.242899 0.742899 Li\n0.992899 0.992899 0.992899 Li\n0.109591 0.625000 0.140409 Cu\n0.125000 0.359591 0.890409 Cu\n0.140409 0.109591 0.625000 Cu\n0.359591 0.890409 0.125000 Cu\n0.375000 0.640409 0.390409 Cu\n0.390409 0.375000 0.640409 Cu\n0.609591 0.875000 0.859591 Cu\n0.625000 0.140409 0.109591 Cu\n0.640409 0.390409 0.375000 Cu\n0.859591 0.609591 0.875000 Cu\n0.875000 0.859591 0.609591 Cu\n0.890409 0.125000 0.359591 Cu\n0.105538 0.873769 0.631456 F\n0.111988 0.611988 0.888012 F\n0.118544 0.123769 0.855538 F\n0.126231 0.131456 0.394462 F\n0.123769 0.855538 0.118544 F\n0.131456 0.394462 0.126231 F\n0.138012 0.361988 0.638012 F\n0.144462 0.618544 0.376231 F\n0.355538 0.381456 0.876231 F\n0.361988 0.638012 0.138012 F\n0.368544 0.605538 0.626231 F\n0.376231 0.144462 0.618544 F\n0.373769 0.868544 0.894462 F\n0.381456 0.876231 0.355538 F\n0.388012 0.388012 0.388012 F\n0.394462 0.126231 0.131456 F\n0.605538 0.626231 0.368544 F\n0.611988 0.888012 0.111988 F\n0.618544 0.376231 0.144462 F\n0.626231 0.368544 0.605538 F\n0.623769 0.644462 0.881456 F\n0.631456 0.105538 0.873769 F\n0.638012 0.138012 0.361988 F\n0.644462 0.881456 0.623769 F\n0.855538 0.118544 0.123769 F\n0.861988 0.861988 0.861988 F\n0.868544 0.894462 0.373769 F\n0.876231 0.355538 0.381456 F\n0.873769 0.631456 0.105538 F\n0.881456 0.623769 0.644462 F\n0.888012 0.111988 0.611988 F\n0.894462 0.373769 0.868544 F\n",
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{
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"structure_string": "Li8 Cr2 O10\n1.0\n4.994582 0.000000 0.000000\n-1.084759 4.999560 0.000000\n-1.691846 -2.544036 6.921397\nLi Cr O\n8 2 10\ndirect\n0.880665 0.482438 0.706407 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.304544 0.488025 0.903538 Li\n0.292684 0.992849 0.389797 Li\n0.707316 0.007151 0.610203 Li\n0.695456 0.511975 0.096462 Li\n0.119335 0.517562 0.293593 Li\n0.873836 0.031797 0.218317 Cr\n0.126164 0.968203 0.781683 Cr\n0.897774 0.219674 0.977653 O\n0.539152 0.768483 0.245530 O\n0.905090 0.767901 0.413226 O\n0.285838 0.771303 0.659923 O\n0.744955 0.769276 0.841933 O\n0.255045 0.230724 0.158067 O\n0.714162 0.228697 0.340077 O\n0.094910 0.232099 0.586774 O\n0.460848 0.231517 0.754470 O\n0.102226 0.780326 0.022347 O\n",
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{
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},
{
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"structure_string": "Li6 Ti4 Co2 O12\n1.0\n-0.000035 -3.090667 5.052797\n6.061992 -2.733296 0.064122\n3.604080 5.678539 0.001553\nLi Ti Co O\n6 4 2 12\ndirect\n0.750019 0.333267 0.166681 Li\n0.250018 0.333268 0.166677 Li\n0.744346 0.009825 0.493594 Li\n0.244346 0.009823 0.493595 Li\n0.755674 0.656832 0.839748 Li\n0.255674 0.656829 0.839748 Li\n0.983415 0.027088 0.980380 Ti\n0.483417 0.027088 0.980380 Ti\n0.516557 0.639592 0.352935 Ti\n0.016559 0.639592 0.352934 Ti\n0.499997 0.333352 0.666672 Co\n0.999997 0.333353 0.666672 Co\n0.639771 0.987599 0.773385 O\n0.139775 0.987604 0.773398 O\n0.860197 0.679063 0.559929 O\n0.360201 0.679068 0.559943 O\n0.638004 0.676544 0.114265 O\n0.138003 0.676546 0.114265 O\n0.861982 0.990145 0.219031 O\n0.361983 0.990146 0.219031 O\n0.615856 0.343790 0.403595 O\n0.115859 0.343792 0.403596 O\n0.884174 0.322896 0.929772 O\n0.384176 0.322897 0.929772 O\n",
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{
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"structure_string": "Dy2 N6 O30\n1.0\n7.615787 0.281609 0.213920\n3.976426 7.554629 3.240615\n0.154769 -0.076395 12.410095\nDy N O\n2 6 30\ndirect\n0.934774 0.635963 0.717359 Dy\n0.065226 0.364037 0.282641 Dy\n0.913335 0.844200 0.489747 N\n0.086665 0.155800 0.510253 N\n0.844067 0.737183 0.185872 N\n0.155933 0.262817 0.814128 N\n0.922402 0.847430 0.831125 N\n0.077598 0.152570 0.168875 N\n0.569120 0.646646 0.476989 O\n0.430880 0.353354 0.523011 O\n0.095459 0.355323 0.701551 O\n0.904541 0.644677 0.298449 O\n0.471161 0.587742 0.715504 O\n0.528839 0.412258 0.284496 O\n0.758411 0.860496 0.790694 O\n0.241589 0.139504 0.209306 O\n0.083002 0.716076 0.559660 O\n0.916998 0.283924 0.440340 O\n0.090399 0.713761 0.821200 O\n0.909601 0.286239 0.178800 O\n0.725271 0.896486 0.144715 O\n0.274729 0.103514 0.855285 O\n0.555009 0.662919 0.963631 O\n0.444991 0.337081 0.036369 O\n0.078523 0.360892 0.876870 O\n0.921477 0.639108 0.123130 O\n0.752012 0.852234 0.531841 O\n0.247988 0.147766 0.468159 O\n0.909829 0.947084 0.394459 O\n0.090171 0.052916 0.605541 O\n0.560129 0.248230 0.610469 O\n0.439871 0.751770 0.389531 O\n0.923662 0.947594 0.873146 O\n0.076338 0.052406 0.126854 O\n0.631961 0.565961 0.752815 O\n0.368039 0.434039 0.247185 O\n0.591907 0.270604 0.989367 O\n0.408093 0.729396 0.010633 O\n",
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"energy": -235.26610273,
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{
"id": "mp-774370",
"created_at": "2022-09-04T14:43:15.953803Z",
"structure_string": "Li6 Mn5 Fe1 B6 O18\n1.0\n3.186080 8.259488 0.000000\n-3.186080 8.259488 0.000000\n0.000000 4.128087 7.169889\nLi Mn Fe B O\n6 5 1 6 18\ndirect\n0.240415 0.741373 0.301599 Li\n0.741373 0.240415 0.301599 Li\n0.400851 0.900296 0.716418 Li\n0.900296 0.400851 0.716418 Li\n0.107453 0.608404 0.983113 Li\n0.608404 0.107453 0.983113 Li\n0.179998 0.179998 0.011993 Mn\n0.679644 0.679644 0.012209 Mn\n0.505896 0.505896 0.629026 Mn\n0.006261 0.006261 0.627783 Mn\n0.314464 0.314464 0.358771 Mn\n0.815804 0.815804 0.360275 Fe\n0.585226 0.081534 0.665772 B\n0.081534 0.585226 0.665772 B\n0.418389 0.916213 0.333495 B\n0.916213 0.418389 0.333495 B\n0.998917 0.998917 0.000208 B\n0.499988 0.499988 0.000031 B\n0.461306 0.461306 0.193381 O\n0.958128 0.958128 0.194571 O\n0.036345 0.544403 0.557878 O\n0.544403 0.036345 0.557878 O\n0.095826 0.095826 0.887101 O\n0.596796 0.596796 0.884260 O\n0.680040 0.180293 0.580120 O\n0.180293 0.680040 0.580120 O\n0.029593 0.529611 0.859189 O\n0.529611 0.029593 0.859189 O\n0.375250 0.876239 0.222358 O\n0.876239 0.375250 0.222358 O\n0.441955 0.441955 0.922377 O\n0.942022 0.942022 0.920546 O\n0.516522 0.011751 0.251687 O\n0.011751 0.516522 0.251687 O\n0.361648 0.861163 0.527103 O\n0.861163 0.361648 0.527103 O\n",
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"formula_full": "Li6 Mn5 Fe1 B6 O18",
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}
]
}