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{
"id": "mp-1175186",
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"structure_string": "Li7 Mn4 Co1 O12\n1.0\n5.251934 0.000000 0.000000\n1.996668 5.601345 0.000000\n1.987859 1.231944 7.386648\nLi Mn Co O\n7 4 1 12\ndirect\n0.009739 0.494434 0.995948 Li\n0.994822 0.836221 0.670293 Li\n0.503233 0.334031 0.165329 Li\n0.499806 0.665422 0.830397 Li\n0.995451 0.169766 0.333081 Li\n0.496672 0.000588 0.504094 Li\n0.500320 0.167898 0.831769 Li\n0.000550 0.000940 0.998268 Mn\n0.999363 0.334279 0.666334 Mn\n0.000091 0.665261 0.334750 Mn\n0.499652 0.835348 0.164913 Mn\n0.499677 0.496673 0.503650 Co\n0.226821 0.676135 0.083944 O\n0.218264 0.013244 0.756118 O\n0.720852 0.512775 0.261428 O\n0.762368 0.849174 0.937214 O\n0.222470 0.342255 0.422922 O\n0.756460 0.203342 0.586109 O\n0.781653 0.321780 0.909711 O\n0.773762 0.657005 0.583017 O\n0.237566 0.135555 0.079671 O\n0.244929 0.483278 0.725476 O\n0.777512 0.989723 0.243909 O\n0.277966 0.814871 0.411655 O\n",
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"formula_full": "Li7 Mn4 Co1 O12",
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{
"id": "mp-1236779",
"created_at": "2022-09-04T14:39:29.215609Z",
"structure_string": "Li1 Hf8 N8 O4\n1.0\n5.598141 -0.029347 -0.266864\n2.811605 -4.665648 -0.100882\n3.242806 1.632008 -10.266228\nLi Hf N O\n1 8 8 4\ndirect\n0.729059 0.489506 0.559148 Li\n0.079116 0.438906 0.277145 Hf\n0.165020 0.937812 0.782220 Hf\n0.358798 0.368963 0.968614 Hf\n0.498616 0.178497 0.520113 Hf\n0.257215 0.834721 0.461906 Hf\n0.780003 0.108823 0.216721 Hf\n0.627358 0.707197 0.045121 Hf\n0.874566 0.607019 0.746756 Hf\n0.394419 0.114361 0.357807 N\n0.510737 0.402080 0.126107 N\n0.278041 0.600036 0.634102 N\n0.685071 0.427247 0.381235 N\n0.459637 0.656165 0.882014 N\n0.921071 0.685069 0.129852 N\n0.070153 0.199503 0.624614 N\n0.765481 0.951263 0.889691 N\n0.208762 0.082893 0.134321 O\n0.972657 0.825460 0.384066 O\n0.066172 0.337697 0.888540 O\n0.628960 0.863354 0.640180 O\n",
"nsites": 21,
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"formula_full": "Li1 Hf8 N8 O4",
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"updated_at": "2021-11-28T01:34:39.328000Z",
"spacegroup": 1
},
{
"id": "mp-1216122",
"created_at": "2022-09-04T14:39:29.235281Z",
"structure_string": "Y4 Zr3 O12\n1.0\n6.447581 0.000000 0.000000\n-1.082096 6.357203 0.000000\n-1.042823 -1.176379 6.263398\nY Zr O\n4 3 12\ndirect\n0.303370 0.609641 0.139403 Y\n0.860732 0.688967 0.393404 Y\n0.393125 0.861399 0.692727 Y\n0.693962 0.390135 0.862514 Y\n0.003970 0.002858 0.000333 Zr\n0.141673 0.308897 0.610480 Zr\n0.614820 0.138391 0.304168 Zr\n0.945767 0.093405 0.319058 O\n0.321388 0.962706 0.092785 O\n0.074254 0.315267 0.924269 O\n0.056950 0.929798 0.685861 O\n0.682574 0.055019 0.940035 O\n0.926873 0.688239 0.056328 O\n0.407408 0.559461 0.817731 O\n0.822862 0.392856 0.562692 O\n0.575018 0.836555 0.414009 O\n0.580069 0.418335 0.187648 O\n0.178436 0.564906 0.436994 O\n0.416751 0.183165 0.559561 O\n",
"nsites": 19,
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"elements": [
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"formula_full": "Y4 Zr3 O12",
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},
{
"id": "mp-1222390",
"created_at": "2022-09-04T14:39:29.153307Z",
"structure_string": "Na5 H7 Se4 O18\n1.0\n-0.123166 -0.069096 -6.198534\n1.606375 -6.954060 1.295288\n-10.172519 -0.385387 1.406935\nNa H Se O\n5 7 4 18\ndirect\n0.872146 0.287112 0.331796 Na\n0.111445 0.722843 0.666785 Na\n0.528881 0.988382 0.489238 Na\n0.409462 0.825176 0.128856 Na\n0.603948 0.153054 0.888411 Na\n0.353398 0.616140 0.452339 H\n0.647846 0.390414 0.562682 H\n0.007489 0.057897 0.125302 H\n0.989831 0.924546 0.892729 H\n0.523192 0.662370 0.586635 H\n0.474182 0.338419 0.430545 H\n0.208070 0.434133 0.891145 H\n0.271473 0.323575 0.139320 Se\n0.718353 0.660287 0.860379 Se\n0.087629 0.209136 0.689145 Se\n0.911712 0.792721 0.323575 Se\n0.257269 0.493741 0.051698 O\n0.704143 0.482082 0.938827 O\n0.268104 0.075248 0.731354 O\n0.736976 0.935654 0.277164 O\n0.440518 0.179573 0.096042 O\n0.557388 0.814036 0.900827 O\n0.999015 0.174706 0.087715 O\n0.996814 0.798340 0.915430 O\n0.278161 0.395728 0.300624 O\n0.721783 0.602782 0.697146 O\n0.839806 0.119992 0.723008 O\n0.160830 0.882287 0.284392 O\n0.093292 0.271991 0.543417 O\n0.919500 0.808326 0.487837 O\n0.394613 0.701044 0.539103 O\n0.603185 0.301348 0.477301 O\n0.183507 0.437754 0.792044 O\n0.816042 0.569160 0.246190 O\n",
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"elements": [
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"H",
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],
"chemical_system": "H-Na-O-Se",
"density": 2.7113243272751917,
"density_atomic": 0.07648463633059475,
"volume": 444.5337211651172,
"volume_molar": 7.873660710067432,
"formula_full": "Na5 H7 Se4 O18",
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"energy": -182.67042,
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{
"id": "mp-1244879",
"created_at": "2022-09-04T14:39:29.157480Z",
"structure_string": "In40 O60\n1.0\n11.377718 -0.272319 -0.166132\n-0.290195 11.728137 -0.737147\n-0.178669 -0.701998 11.523073\nIn O\n40 60\ndirect\n0.777628 0.492828 0.310893 In\n0.251842 0.314391 0.083962 In\n0.195832 0.727558 0.788413 In\n0.130528 0.312992 0.772702 In\n0.098461 0.571519 0.977845 In\n0.607594 0.115866 0.666419 In\n0.410972 0.206663 0.882776 In\n0.588038 0.884603 0.194804 In\n0.299321 0.767923 0.091809 In\n0.631542 0.217452 0.411658 In\n0.346753 0.937335 0.693402 In\n0.592230 0.302164 0.124312 In\n0.707821 0.373175 0.761504 In\n0.856674 0.097147 0.201067 In\n0.384805 0.024873 0.075167 In\n0.896524 0.336041 0.073979 In\n0.668719 0.056454 0.959105 In\n0.972756 0.048701 0.487347 In\n0.344200 0.979304 0.391341 In\n0.702717 0.582332 0.625013 In\n0.120171 0.029199 0.940253 In\n0.416811 0.643447 0.611246 In\n0.101724 0.881778 0.224031 In\n0.897745 0.146452 0.751716 In\n0.409524 0.429796 0.344358 In\n0.390835 0.524605 0.984460 In\n0.169104 0.499456 0.539612 In\n0.967566 0.871091 0.743272 In\n0.716008 0.585960 0.010990 In\n0.888734 0.315522 0.520400 In\n0.116799 0.775507 0.504013 In\n0.830701 0.803316 0.310739 In\n0.035745 0.569959 0.238084 In\n0.074418 0.278187 0.300500 In\n0.953399 0.560305 0.742153 In\n0.536392 0.769750 0.868596 In\n0.604515 0.822563 0.515487 In\n0.436840 0.330796 0.636230 In\n0.334568 0.655293 0.325656 In\n0.825566 0.850746 0.018797 In\n0.463291 0.854780 0.042092 O\n0.522777 0.143189 0.030107 O\n0.867152 0.323030 0.871320 O\n0.277195 0.822683 0.284447 O\n0.062143 0.164301 0.848572 O\n0.757317 0.212974 0.089242 O\n0.747193 0.707527 0.488499 O\n0.717182 0.987802 0.116543 O\n0.058954 0.367902 0.464800 O\n0.248989 0.924843 0.534467 O\n0.846175 0.133951 0.385648 O\n0.947159 0.405909 0.256608 O\n0.998347 0.724024 0.634719 O\n0.771026 0.550471 0.825028 O\n0.268682 0.650947 0.932423 O\n0.495260 0.182828 0.526298 O\n0.433258 0.357820 0.028522 O\n0.238992 0.350688 0.259474 O\n0.965819 0.394030 0.828447 O\n0.550674 0.265064 0.780506 O\n0.004418 0.192854 0.135320 O\n0.126134 0.484392 0.716210 O\n0.999780 0.209889 0.616494 O\n0.957103 0.507433 0.062735 O\n0.187079 0.048112 0.307621 O\n0.886597 0.640083 0.305320 O\n0.521030 0.958819 0.606130 O\n0.898360 0.984431 0.635627 O\n0.670844 0.600508 0.434790 O\n0.307918 0.276307 0.749101 O\n0.207724 0.423133 0.961232 O\n0.706396 0.454949 0.129265 O\n0.587820 0.711639 0.674596 O\n0.113090 0.122942 0.383927 O\n0.419059 0.029613 0.841190 O\n0.380097 0.624573 0.149839 O\n0.722335 0.746746 0.131398 O\n0.674909 0.885787 0.361168 O\n0.155397 0.615344 0.387377 O\n0.354715 0.461391 0.544526 O\n0.944385 0.944124 0.916998 O\n0.440754 0.735725 0.466315 O\n0.583861 0.446776 0.649566 O\n0.753112 0.352163 0.401067 O\n0.161444 0.907661 0.784058 O\n0.688125 0.874974 0.892406 O\n0.852549 0.485780 0.600513 O\n0.006025 0.872646 0.398994 O\n0.269251 0.147269 0.006375 O\n0.522174 0.296096 0.290248 O\n0.750111 0.236823 0.624135 O\n0.543908 0.604723 0.929542 O\n0.382114 0.776507 0.762678 O\n0.030314 0.686661 0.868064 O\n0.729625 0.107958 0.808412 O\n0.229001 0.670705 0.608583 O\n0.924734 0.914166 0.183348 O\n0.457599 0.009330 0.252643 O\n0.114595 0.698298 0.138553 O\n0.209450 0.926923 0.067991 O\n",
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{
"id": "mp-1147593",
"created_at": "2022-09-04T14:39:29.542125Z",
"structure_string": "Li24 Zn12 P16 S64\n1.0\n9.271574 0.000000 0.000000\n0.014084 11.617927 0.000000\n0.011351 0.025133 23.197669\nLi Zn P S\n24 12 16 64\ndirect\n0.748254 0.000930 0.129734 Li\n0.250208 0.245559 0.246619 Li\n0.246093 0.259631 0.003928 Li\n0.252650 0.743045 0.008282 Li\n0.502756 0.501859 0.748633 Li\n0.500347 0.000050 0.749062 Li\n0.499778 0.500674 0.499650 Li\n0.504291 0.999278 0.500741 Li\n0.002114 0.251055 0.624641 Li\n0.001195 0.750576 0.624330 Li\n0.503646 0.503480 0.250064 Li\n0.500360 0.998208 0.251147 Li\n0.997960 0.248631 0.376906 Li\n0.003822 0.749503 0.375272 Li\n0.515308 0.498092 0.001858 Li\n0.501223 0.998719 0.997748 Li\n0.985464 0.251540 0.125717 Li\n0.997255 0.744480 0.126903 Li\n0.997832 0.251883 0.873695 Li\n0.996402 0.751575 0.872129 Li\n0.499710 0.748738 0.127408 Li\n0.508154 0.253225 0.124092 Li\n0.000446 0.997293 0.252509 Li\n0.984662 0.500564 0.999972 Li\n0.506601 0.750104 0.875107 Zn\n0.507228 0.250802 0.873299 Zn\n0.499408 0.749047 0.624107 Zn\n0.498864 0.249634 0.624641 Zn\n0.000801 0.500009 0.749982 Zn\n0.999208 0.999107 0.748724 Zn\n0.499934 0.751046 0.374034 Zn\n0.506670 0.247619 0.376032 Zn\n0.999399 0.499652 0.499503 Zn\n0.000077 0.999348 0.499850 Zn\n0.992210 0.501705 0.249264 Zn\n0.993532 0.002242 0.999687 Zn\n0.750031 0.750696 0.749344 P\n0.750698 0.250333 0.749293 P\n0.750061 0.749437 0.500039 P\n0.750629 0.250355 0.500667 P\n0.249863 0.500231 0.624952 P\n0.250085 0.000088 0.625085 P\n0.752842 0.754487 0.253380 P\n0.747031 0.253930 0.249020 P\n0.247530 0.499228 0.374317 P\n0.254188 0.006050 0.376108 P\n0.747967 0.750074 0.997064 P\n0.751555 0.241087 0.000648 P\n0.251369 0.502216 0.124813 P\n0.246252 0.998020 0.123438 P\n0.251594 0.495775 0.875352 P\n0.249676 0.998963 0.875144 P\n0.873398 0.650121 0.946378 S\n0.866411 0.136074 0.944590 S\n0.866684 0.639678 0.697940 S\n0.866895 0.139944 0.697377 S\n0.372258 0.390698 0.822519 S\n0.365858 0.889214 0.823740 S\n0.864983 0.638588 0.447924 S\n0.862893 0.137895 0.448684 S\n0.364450 0.388966 0.572948 S\n0.364633 0.889153 0.572931 S\n0.858724 0.639993 0.198860 S\n0.869200 0.142617 0.199449 S\n0.370740 0.387891 0.323173 S\n0.364414 0.892380 0.323829 S\n0.368805 0.393374 0.072238 S\n0.372439 0.895348 0.071328 S\n0.634926 0.353669 0.693858 S\n0.634211 0.853637 0.693666 S\n0.637618 0.355270 0.444970 S\n0.633599 0.852785 0.445027 S\n0.134207 0.103593 0.569818 S\n0.134962 0.603632 0.569189 S\n0.628687 0.356955 0.197505 S\n0.632749 0.855515 0.197808 S\n0.134609 0.108261 0.322015 S\n0.135033 0.602367 0.318362 S\n0.633057 0.347115 0.945838 S\n0.633288 0.859464 0.942726 S\n0.125690 0.108936 0.068690 S\n0.122865 0.601323 0.071781 S\n0.132387 0.101629 0.820453 S\n0.137620 0.601722 0.820351 S\n0.862079 0.863524 0.801347 S\n0.862807 0.362277 0.801745 S\n0.864369 0.861033 0.552132 S\n0.865879 0.361419 0.552530 S\n0.363733 0.611931 0.676997 S\n0.363723 0.111701 0.677326 S\n0.869924 0.856887 0.305292 S\n0.872150 0.357038 0.302149 S\n0.364474 0.609254 0.425732 S\n0.371801 0.112472 0.429529 S\n0.868179 0.860856 0.051552 S\n0.864605 0.350690 0.050519 S\n0.365664 0.604370 0.177418 S\n0.370931 0.105033 0.173790 S\n0.373065 0.607413 0.927479 S\n0.368000 0.111788 0.926354 S\n0.636629 0.645871 0.805092 S\n0.637835 0.144209 0.804756 S\n0.636498 0.644598 0.556073 S\n0.636377 0.146191 0.556587 S\n0.136156 0.395910 0.681010 S\n0.136921 0.894992 0.681050 S\n0.630231 0.647245 0.305428 S\n0.635182 0.146189 0.305193 S\n0.135590 0.394664 0.430596 S\n0.137348 0.900105 0.430560 S\n0.631568 0.651946 0.051810 S\n0.627320 0.137823 0.052616 S\n0.124314 0.394808 0.178108 S\n0.120780 0.899610 0.174124 S\n0.130244 0.395887 0.929249 S\n0.132093 0.894594 0.930957 S\n",
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"formula_full": "Li24 Zn12 P16 S64",
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"updated_at": "2021-11-28T01:34:35.583000Z",
"spacegroup": 1
}
]
}