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{
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{
"id": "mp-563018",
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{
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"formula_full": "Tl6 Co6 O16",
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{
"id": "mp-767435",
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"structure_string": "P12 W8 O48\n1.0\n8.887227 0.000000 0.000000\n0.000000 8.786090 0.000000\n0.000000 8.701408 12.302480\nP W O\n12 8 48\ndirect\n0.247105 0.464512 0.004571 P\n0.387017 0.747030 0.646495 P\n0.111681 0.035669 0.355485 P\n0.887017 0.252970 0.853505 P\n0.611681 0.964331 0.144515 P\n0.747105 0.535488 0.495429 P\n0.252895 0.464512 0.504571 P\n0.388319 0.035669 0.855485 P\n0.112983 0.747030 0.146495 P\n0.888319 0.964331 0.644515 P\n0.612983 0.252970 0.353505 P\n0.752895 0.535488 0.995429 P\n0.032602 0.632640 0.616432 W\n0.532602 0.367360 0.883568 W\n0.966050 0.133282 0.116108 W\n0.466050 0.866718 0.383892 W\n0.533950 0.133282 0.616108 W\n0.033950 0.866718 0.883892 W\n0.467398 0.632640 0.116432 W\n0.967398 0.367360 0.383568 W\n0.860888 0.367630 0.067532 O\n0.891036 0.804696 0.630545 O\n0.679202 0.521357 0.908115 O\n0.576417 0.093712 0.339742 O\n0.354427 0.461060 0.928425 O\n0.219401 0.712026 0.664992 O\n0.436369 0.814515 0.530812 O\n0.003785 0.079152 0.262892 O\n0.150861 0.284365 0.065556 O\n0.276586 0.015759 0.327509 O\n0.484728 0.576815 0.726706 O\n0.063013 0.849053 0.457846 O\n0.984728 0.423185 0.773294 O\n0.563013 0.150947 0.042154 O\n0.776586 0.984241 0.172491 O\n0.650861 0.715635 0.434444 O\n0.936369 0.185485 0.969188 O\n0.503785 0.920848 0.237108 O\n0.719401 0.287974 0.835008 O\n0.854427 0.538940 0.571575 O\n0.179202 0.478643 0.591885 O\n0.391036 0.195304 0.869455 O\n0.076417 0.906288 0.160258 O\n0.360888 0.632370 0.432468 O\n0.639112 0.367630 0.567532 O\n0.923583 0.093712 0.839742 O\n0.608964 0.804696 0.130545 O\n0.820798 0.521357 0.408115 O\n0.145573 0.461060 0.428425 O\n0.280599 0.712026 0.164992 O\n0.496215 0.079152 0.762892 O\n0.063631 0.814515 0.030812 O\n0.349139 0.284365 0.565556 O\n0.223414 0.015759 0.827509 O\n0.436987 0.849053 0.957846 O\n0.015272 0.576815 0.226706 O\n0.936987 0.150947 0.542154 O\n0.515272 0.423185 0.273294 O\n0.723414 0.984241 0.672491 O\n0.849139 0.715635 0.934444 O\n0.996215 0.920848 0.737108 O\n0.563631 0.185485 0.469188 O\n0.780599 0.287974 0.335008 O\n0.645573 0.538940 0.071575 O\n0.423583 0.906288 0.660258 O\n0.320798 0.478643 0.091885 O\n0.108964 0.195304 0.369455 O\n0.139112 0.632370 0.932468 O\n",
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"formula_full": "P12 W8 O48",
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"energy": -576.40702055,
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},
{
"id": "mp-1181841",
"created_at": "2022-09-04T14:46:27.913212Z",
"structure_string": "Cr2 Bi2 O6\n1.0\n8.768473 2.796375 9.524091\n-2.707573 3.356084 3.904908\n-6.152638 -6.442477 -1.652886\nCr Bi O\n2 2 6\ndirect\n0.468394 0.722027 0.005036 Cr\n0.463358 0.222027 0.994964 Cr\n0.005193 0.495253 0.002931 Bi\n0.002263 0.995253 0.997069 Bi\n0.953683 0.640717 0.575665 O\n0.378017 0.140717 0.424335 O\n0.471409 0.268316 0.519577 O\n0.494961 0.006687 0.152072 O\n0.342889 0.506687 0.847928 O\n0.951833 0.768316 0.480423 O\n",
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"formula_full": "Cr2 Bi2 O6",
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{
"id": "mp-1209043",
"created_at": "2022-09-04T14:47:06.227976Z",
"structure_string": "Sr2 Al4 Fe3 P4 H4 O26\n1.0\n5.372111 -0.027985 -0.141408\n-1.312565 8.652606 -3.047836\n0.044764 -0.133983 9.877823\nSr Al Fe P H O\n2 4 3 4 4 26\ndirect\n0.123871 0.264421 0.411464 Sr\n0.876129 0.735580 0.588536 Sr\n0.512424 0.071677 0.158883 Al\n0.487576 0.928323 0.841117 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Fe\n0.240450 0.631839 0.281787 Fe\n0.759550 0.368161 0.718213 Fe\n0.693620 0.428064 0.269760 P\n0.306380 0.571936 0.730240 P\n0.223192 0.177666 0.761853 P\n0.776808 0.822334 0.238147 P\n0.238716 0.932796 0.277164 H\n0.761284 0.067204 0.722836 H\n0.052323 0.407803 0.038823 H\n0.947677 0.592197 0.961177 H\n0.690321 0.419163 0.112615 O\n0.309679 0.580837 0.887385 O\n0.539436 0.699144 0.165992 O\n0.460564 0.300856 0.834008 O\n0.216085 0.460159 0.089966 O\n0.783915 0.539841 0.910034 O\n0.717565 0.190566 0.545322 O\n0.282435 0.809434 0.454678 O\n0.047140 0.483149 0.646504 O\n0.952860 0.516851 0.353496 O\n0.212834 0.038930 0.820547 O\n0.787166 0.961070 0.179453 O\n0.305192 0.910388 0.006437 O\n0.694808 0.089612 0.993563 O\n0.680569 0.263094 0.281561 O\n0.319431 0.736906 0.718439 O\n0.018568 0.751930 0.198295 O\n0.981432 0.248070 0.801705 O\n0.484032 0.511965 0.354152 O\n0.515968 0.488035 0.645848 O\n0.222334 0.159003 0.135544 O\n0.777666 0.840997 0.864456 O\n0.370154 0.024610 0.320671 O\n0.629846 0.975390 0.679329 O\n0.242492 0.116147 0.597127 O\n0.757508 0.883853 0.402873 O\n",
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{
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"structure_string": "Li4 Ti2 Co4 O10\n1.0\n7.488555 2.539717 0.000000\n-7.488555 2.539717 0.000000\n0.000000 1.612648 4.854999\nLi Ti Co O\n4 2 4 10\ndirect\n0.749691 0.250309 0.750000 Li\n0.552179 0.447821 0.750000 Li\n0.250309 0.749691 0.250000 Li\n0.447821 0.552179 0.250000 Li\n0.647645 0.352355 0.250000 Ti\n0.352355 0.647645 0.750000 Ti\n0.151532 0.848468 0.750000 Co\n0.951170 0.048830 0.750000 Co\n0.848468 0.151532 0.250000 Co\n0.048830 0.951170 0.250000 Co\n0.588457 0.885908 0.983125 O\n0.885908 0.588457 0.483125 O\n0.000000 0.500000 0.000000 O\n0.683999 0.796147 0.509997 O\n0.796147 0.683999 0.009997 O\n0.411543 0.114092 0.016875 O\n0.203853 0.316001 0.990003 O\n0.114092 0.411543 0.516875 O\n0.500000 0.000000 0.500000 O\n0.316001 0.203853 0.490003 O\n",
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{
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"structure_string": "Zr4 Cr4 Ag4 S16\n1.0\n12.266115 0.000000 0.085741\n0.000000 3.629983 0.000000\n0.093024 0.000000 12.238286\nZr Cr Ag S\n4 4 4 16\ndirect\n0.398316 0.750000 0.589166 Zr\n0.840240 0.750000 0.286256 Zr\n0.338847 0.750000 0.209755 Zr\n0.672398 0.250000 0.812268 Zr\n0.106199 0.250000 0.067091 Cr\n0.904826 0.750000 0.922175 Cr\n0.605554 0.250000 0.424016 Cr\n0.154169 0.250000 0.697675 Cr\n0.121053 0.750000 0.409776 Ag\n0.887085 0.250000 0.593067 Ag\n0.357872 0.250000 0.909021 Ag\n0.626623 0.750000 0.085794 Ag\n0.056689 0.750000 0.614053 S\n0.942500 0.250000 0.383387 S\n0.446147 0.250000 0.113412 S\n0.544998 0.750000 0.881273 S\n0.032732 0.250000 0.879977 S\n0.974894 0.750000 0.108857 S\n0.471150 0.750000 0.380721 S\n0.546901 0.250000 0.620583 S\n0.191584 0.250000 0.253314 S\n0.808604 0.750000 0.746549 S\n0.277675 0.750000 0.758216 S\n0.692042 0.250000 0.245094 S\n0.226678 0.750000 0.028924 S\n0.784712 0.250000 0.980261 S\n0.265852 0.250000 0.532625 S\n0.723656 0.750000 0.466694 S\n",
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{
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"structure_string": "Sm1 Mg2 Mn3 S8\n1.0\n6.499502 0.052848 3.841274\n2.216508 6.106801 3.840992\n0.075958 0.053345 7.550965\nSm Mg Mn S\n1 2 3 8\ndirect\n0.500014 0.500005 0.499979 Sm\n0.874188 0.874159 0.874240 Mg\n0.125809 0.125842 0.125768 Mg\n0.499941 0.499996 0.000011 Mn\n0.000010 0.500008 0.499993 Mn\n0.500047 0.000009 0.499999 Mn\n0.740392 0.740302 0.740298 S\n0.241542 0.241711 0.721522 S\n0.241660 0.721442 0.241642 S\n0.721482 0.241754 0.241540 S\n0.758319 0.278570 0.758356 S\n0.278516 0.758245 0.758442 S\n0.259603 0.259666 0.259732 S\n0.758481 0.758287 0.278480 S\n",
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{
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{
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"formula_full": "Na4 Ni6 P8 O28",
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{
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"structure_string": "Li2 V6 P12 O40\n1.0\n5.139643 -6.910137 0.000000\n5.139643 6.910137 0.000000\n0.000000 0.000000 12.577831\nLi V P O\n2 6 12 40\ndirect\n0.105522 0.105522 0.000000 Li\n0.605522 0.605522 0.500000 Li\n0.381552 0.381552 0.000000 V\n0.824910 0.272638 0.288881 V\n0.772638 0.324910 0.788881 V\n0.324910 0.772638 0.211119 V\n0.272638 0.824910 0.711119 V\n0.881552 0.881552 0.500000 V\n0.405200 0.136471 0.299886 P\n0.136471 0.405200 0.700114 P\n0.361988 0.224332 0.787421 P\n0.224332 0.361988 0.212579 P\n0.375630 0.753214 0.946163 P\n0.253214 0.875630 0.446163 P\n0.753214 0.375630 0.053837 P\n0.875630 0.253214 0.553837 P\n0.636471 0.905200 0.799886 P\n0.905200 0.636471 0.200114 P\n0.861988 0.724332 0.712579 P\n0.724332 0.861988 0.287421 P\n0.013216 0.329757 0.783899 O\n0.329757 0.013216 0.216101 O\n0.338379 0.061667 0.736665 O\n0.061667 0.338379 0.263335 O\n0.062515 0.350612 0.583509 O\n0.350612 0.062515 0.416491 O\n0.270226 0.212808 0.897245 O\n0.212808 0.270226 0.102755 O\n0.282335 0.325160 0.705230 O\n0.325160 0.282335 0.294770 O\n0.210041 0.585197 0.695103 O\n0.085197 0.710041 0.195103 O\n0.710041 0.085197 0.804897 O\n0.585197 0.210041 0.304897 O\n0.829087 0.034084 0.306275 O\n0.534084 0.329087 0.806275 O\n0.329087 0.534084 0.193725 O\n0.034084 0.829087 0.693725 O\n0.867678 0.071882 0.565194 O\n0.571882 0.367678 0.065194 O\n0.367678 0.571882 0.934806 O\n0.071882 0.867678 0.434806 O\n0.759875 0.297365 0.631849 O\n0.797365 0.259875 0.131849 O\n0.259875 0.797365 0.868151 O\n0.297365 0.759875 0.368151 O\n0.306481 0.852835 0.557577 O\n0.852835 0.306481 0.442423 O\n0.352835 0.806481 0.057577 O\n0.806481 0.352835 0.942423 O\n0.829757 0.513216 0.283899 O\n0.513216 0.829757 0.716101 O\n0.561667 0.838379 0.236665 O\n0.838379 0.561667 0.763335 O\n0.850612 0.562515 0.083509 O\n0.562515 0.850612 0.916491 O\n0.770226 0.712808 0.602755 O\n0.712808 0.770226 0.397245 O\n0.825160 0.782335 0.205230 O\n0.782335 0.825160 0.794770 O\n",
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},
{
"id": "mp-764734",
"created_at": "2022-09-04T14:45:26.222536Z",
"structure_string": "Mn3 V1 Sb2 P6 O24\n1.0\n8.909160 0.072529 0.051192\n4.359775 -7.587856 -0.000002\n4.359774 -2.541423 -7.149597\nMn V Sb P O\n3 1 2 6 24\ndirect\n0.047787 0.650737 0.650737 Mn\n0.463394 0.845536 0.845536 Mn\n0.940616 0.353128 0.353128 Mn\n0.563656 0.145448 0.145448 V\n0.039359 0.986881 0.986881 Sb\n0.498168 0.500611 0.500611 Sb\n0.250379 0.249220 0.537075 P\n0.250379 0.963326 0.249220 P\n0.250379 0.537075 0.963326 P\n0.746909 0.451685 0.048617 P\n0.746909 0.048617 0.752789 P\n0.746909 0.752789 0.451685 P\n0.072862 0.110939 0.308346 O\n0.072862 0.507854 0.110939 O\n0.072862 0.308346 0.507854 O\n0.242542 0.082105 0.732716 O\n0.423072 0.179868 0.385429 O\n0.270899 0.407261 0.552122 O\n0.242542 0.942638 0.082105 O\n0.270899 0.769718 0.407261 O\n0.572369 0.612938 0.021795 O\n0.270899 0.552122 0.769718 O\n0.736406 0.264001 0.077986 O\n0.572369 0.021795 0.792898 O\n0.423072 0.011630 0.179868 O\n0.242542 0.732716 0.942638 O\n0.743135 0.426541 0.241688 O\n0.423072 0.385429 0.011630 O\n0.743135 0.241688 0.588635 O\n0.736406 0.077986 0.921607 O\n0.743135 0.588635 0.426541 O\n0.572369 0.792898 0.612938 O\n0.736406 0.921607 0.264001 O\n0.923767 0.709253 0.472422 O\n0.923767 0.472422 0.894558 O\n0.923767 0.894558 0.709253 O\n",
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}
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}