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{
"id": "oqmd-694172",
"created_at": "2022-09-04T15:18:00.465598Z",
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"structure_string": "Li8 Hg4 O11\n1.0\n-5.575402 -9.773755 -0.531213\n-2.520432 4.732493 0.133020\n1.683955 -0.154216 -4.925215\nHg Li O\n4 8 11\ndirect\n0.917300 0.154387 0.008900 Hg\n0.586938 0.839339 0.019473 Hg\n0.412180 0.144495 0.987946 Hg\n0.091479 0.873011 0.999234 Hg\n0.761389 0.500374 0.023836 Li\n0.179371 0.755076 0.489289 Li\n0.502075 0.002121 0.500529 Li\n0.673218 0.657831 0.503105 Li\n0.838682 0.314135 0.515291 Li\n0.977564 0.958444 0.521010 Li\n0.350224 0.371132 0.533750 Li\n0.216983 0.494198 0.890750 Li\n0.316756 0.890870 0.239786 O\n0.984379 0.584214 0.260743 O\n0.819358 0.915926 0.270547 O\n0.484146 0.563326 0.272475 O\n0.656643 0.249822 0.288743 O\n0.340306 0.746375 0.687829 O\n0.187667 0.108867 0.716702 O\n0.019817 0.374239 0.741246 O\n0.521390 0.420387 0.747060 O\n0.846291 0.731648 0.749527 O\n0.676532 0.071160 0.750892 O\n",
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{
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"structure_string": "Li8 Co4 O11\n1.0\n-4.915511 -8.667667 -0.102361\n-2.459298 4.334331 -0.006771\n1.613681 -0.024395 -4.671816\nCo Li O\n4 8 11\ndirect\n0.080496 0.821671 0.988648 Co\n0.416201 0.163234 0.992076 Co\n0.575950 0.834367 0.993359 Co\n0.908781 0.154785 0.994929 Co\n0.749740 0.494747 0.005753 Li\n0.500056 0.997711 0.495516 Li\n0.827562 0.325404 0.497418 Li\n0.667948 0.651609 0.501365 Li\n0.178378 0.722509 0.508721 Li\n0.350334 0.360089 0.514152 Li\n0.994301 0.974948 0.521667 Li\n0.255648 0.518138 0.971609 Li\n0.471440 0.605532 0.225810 O\n0.279522 0.942093 0.227505 O\n0.614186 0.217713 0.231931 O\n0.969794 0.567635 0.232200 O\n0.821729 0.953819 0.245236 O\n0.373176 0.761534 0.735159 O\n0.698243 0.052472 0.766084 O\n0.538018 0.431675 0.771864 O\n0.198893 0.081250 0.776814 O\n0.028487 0.375012 0.780218 O\n0.887075 0.763967 0.786152 O\n",
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{
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"created_at": "2022-09-04T15:18:00.550052Z",
"updated_at": "2022-09-04T15:18:00.550089Z",
"structure_string": "Li8 Gd4 O11\n1.0\n-5.164321 -10.689295 -0.154192\n-2.556002 5.325939 -0.072845\n1.633932 0.007442 -4.840514\nGd Li O\n4 8 11\ndirect\n0.099918 0.915422 0.029321 Gd\n0.557960 0.759666 0.922177 Gd\n0.400269 0.059633 0.932578 Gd\n0.920706 0.176258 0.943678 Gd\n0.289159 0.565220 0.262200 Li\n0.934387 0.871967 0.389530 Li\n0.114021 0.597724 0.441399 Li\n0.804968 0.346055 0.448672 Li\n0.689381 0.597129 0.469203 Li\n0.557084 0.071468 0.523214 Li\n0.218671 0.398553 0.675199 Li\n0.750561 0.454353 0.955717 Li\n0.757705 0.822721 0.181034 O\n0.601025 0.165590 0.194612 O\n0.948077 0.556906 0.230351 O\n0.272073 0.876933 0.263527 O\n0.090011 0.229340 0.296666 O\n0.398409 0.751428 0.635836 O\n0.721530 0.085755 0.703514 O\n0.900576 0.787415 0.724241 O\n0.575256 0.413758 0.734077 O\n0.128911 0.585932 0.815071 O\n0.321171 0.336920 0.966967 O\n",
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"elements": [
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{
"id": "oqmd-694462",
"created_at": "2022-09-04T15:18:00.554299Z",
"updated_at": "2022-09-04T15:18:00.554330Z",
"structure_string": "V4 O11\n1.0\n-5.088879 -8.683437 -0.081023\n-2.603211 4.376154 0.033056\n1.745195 -0.047810 -4.278551\nO V\n11 4\ndirect\n0.482441 0.590612 0.211133 O\n0.278883 0.002005 0.222022 O\n0.987046 0.563925 0.232950 O\n0.795006 0.982528 0.242607 O\n0.587341 0.194445 0.261327 O\n0.406301 0.806952 0.734883 O\n0.030145 0.391047 0.740848 O\n0.705159 0.045689 0.751903 O\n0.213025 0.055430 0.783158 O\n0.529459 0.428161 0.788598 O\n0.928146 0.843730 0.839850 O\n0.591852 0.877719 0.054257 V\n0.411459 0.137667 0.939583 V\n0.073057 0.746862 0.966610 V\n0.885794 0.143456 0.968569 V\n",
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{
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"created_at": "2022-09-04T15:18:00.685669Z",
"updated_at": "2022-09-04T15:18:00.685695Z",
"structure_string": "Ir4 O11\n1.0\n-5.259716 -8.633044 -0.006013\n-2.695834 4.356175 0.002719\n1.805879 -0.016605 -4.408765\nIr O\n4 11\ndirect\n0.589024 0.850831 0.010266 Ir\n0.412632 0.194682 0.016798 Ir\n0.075592 0.802847 0.976025 Ir\n0.919346 0.134585 0.982144 Ir\n0.983817 0.552106 0.212961 O\n0.802952 0.965508 0.234242 O\n0.480978 0.606227 0.246835 O\n0.600530 0.211016 0.247560 O\n0.281605 0.000445 0.253370 O\n0.892342 0.765108 0.719162 O\n0.703553 0.005478 0.751021 O\n0.035201 0.399112 0.766760 O\n0.205692 0.067032 0.778197 O\n0.522233 0.430469 0.785894 O\n0.396838 0.819220 0.787071 O\n",
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{
"id": "oqmd-694207",
"created_at": "2022-09-04T15:18:00.479012Z",
"updated_at": "2022-09-04T15:18:00.479034Z",
"structure_string": "Li8 Pd4 O11\n1.0\n-5.121843 -8.881540 -0.017889\n-2.533486 4.424857 -0.007968\n1.713214 0.004877 -4.752113\nLi O Pd\n8 11 4\ndirect\n0.750343 0.494049 0.002961 Li\n0.829950 0.331348 0.494802 Li\n0.998974 0.999715 0.497282 Li\n0.172625 0.669029 0.501638 Li\n0.684158 0.663565 0.507493 Li\n0.319338 0.311202 0.511930 Li\n0.503920 0.030399 0.518305 Li\n0.239705 0.500671 0.974856 Li\n0.786605 0.915541 0.238055 O\n0.963201 0.580431 0.239562 O\n0.119709 0.241775 0.239681 O\n0.293349 0.936266 0.242129 O\n0.615126 0.228022 0.244335 O\n0.378739 0.738667 0.747434 O\n0.711669 0.078591 0.754684 O\n0.539608 0.421976 0.755257 O\n0.036084 0.422133 0.759248 O\n0.883518 0.764459 0.760235 O\n0.212082 0.088275 0.767438 O\n0.576718 0.813563 0.000162 Pd\n0.084950 0.837287 0.000919 Pd\n0.422136 0.188189 0.003853 Pd\n0.914947 0.165026 0.999612 Pd\n",
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{
"id": "oqmd-694217",
"created_at": "2022-09-04T15:18:00.493589Z",
"updated_at": "2022-09-04T15:18:00.493622Z",
"structure_string": "Rb4 Li8 O11\n1.0\n-6.347619 -10.204691 0.436253\n-3.142809 5.085869 0.294448\n2.606904 -0.025012 -5.111336\nLi O Rb\n8 11 4\ndirect\n0.917821 0.823875 0.495207 Li\n0.425585 0.851388 0.510695 Li\n0.383563 0.419319 0.521697 Li\n0.711922 0.776460 0.524674 Li\n0.218905 0.793350 0.525449 Li\n0.869838 0.386265 0.539697 Li\n0.652501 0.311570 0.633906 Li\n0.167529 0.348925 0.667695 Li\n0.728852 0.449746 0.390681 O\n0.344460 0.040479 0.398057 O\n0.849484 0.034903 0.426923 O\n0.529707 0.705145 0.428576 O\n0.037179 0.721952 0.438998 O\n0.301438 0.608788 0.615457 O\n0.486694 0.266966 0.642149 O\n0.647132 0.998753 0.667247 O\n0.154496 0.016229 0.667948 O\n0.991284 0.280951 0.668554 O\n0.818958 0.641357 0.700087 O\n0.590471 0.834066 0.036490 Rb\n0.099802 0.872472 0.048063 Rb\n0.433860 0.186430 0.051454 Rb\n0.929006 0.211590 0.076114 Rb\n",
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{
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"created_at": "2022-09-04T15:18:00.502724Z",
"updated_at": "2022-09-04T15:18:00.502752Z",
"structure_string": "Li8 Dy4 O11\n1.0\n-5.803927 -9.782197 -0.069990\n-2.804618 4.833438 0.035122\n1.931330 -0.016202 -4.753494\nDy Li O\n4 8 11\ndirect\n0.920502 0.168520 0.079574 Dy\n0.076835 0.756140 0.915067 Dy\n0.421070 0.183643 0.988955 Dy\n0.582976 0.842174 0.993753 Dy\n0.463673 0.967701 0.444461 Li\n0.217254 0.770144 0.465143 Li\n0.362210 0.383781 0.474802 Li\n0.691881 0.647719 0.524716 Li\n0.951627 0.937620 0.538062 Li\n0.773796 0.284999 0.542599 Li\n0.251907 0.471546 0.881571 Li\n0.740545 0.509663 0.998664 Li\n0.431465 0.584466 0.202015 O\n0.289843 0.968381 0.227417 O\n0.613955 0.241640 0.271616 O\n0.778249 0.898532 0.283587 O\n0.014010 0.646237 0.335468 O\n0.372534 0.755138 0.701778 O\n0.207316 0.068321 0.716088 O\n0.544416 0.430319 0.729135 O\n0.051059 0.345261 0.800950 O\n0.876947 0.747693 0.804819 O\n0.742422 0.143345 0.838083 O\n",
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{
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"created_at": "2022-09-04T15:18:00.507491Z",
"updated_at": "2022-09-04T15:18:00.507518Z",
"structure_string": "Li8 Pr4 O11\n1.0\n-5.534885 -10.973939 -0.411477\n-2.708768 5.447859 -0.073165\n1.622914 -0.044478 -4.658708\nLi O Pr\n8 11 4\ndirect\n0.767308 0.492857 0.009771 Li\n0.229592 0.494788 0.042024 Li\n0.940475 0.902273 0.417518 Li\n0.803132 0.375807 0.488737 Li\n0.698250 0.619336 0.496621 Li\n0.200005 0.613655 0.504761 Li\n0.555014 0.091922 0.556920 Li\n0.280082 0.356144 0.557048 Li\n0.756529 0.819402 0.209389 O\n0.244705 0.820410 0.216552 O\n0.626791 0.204732 0.228441 O\n0.942481 0.589729 0.258894 O\n0.106515 0.221232 0.290633 O\n0.524958 0.385722 0.618519 O\n0.395092 0.782359 0.692273 O\n0.720118 0.113119 0.739177 O\n0.873479 0.764405 0.741237 O\n0.091438 0.495599 0.782774 O\n0.306513 0.308556 0.934420 O\n0.921086 0.196024 0.027055 Pr\n0.426959 0.133795 0.027956 Pr\n0.564558 0.769859 0.942765 Pr\n0.085296 0.876527 0.957540 Pr\n",
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{
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"created_at": "2022-09-04T15:18:00.579882Z",
"updated_at": "2022-09-04T15:18:00.579910Z",
"structure_string": "Li8 Np4 O11\n1.0\n-5.753261 -10.378902 -0.138697\n-2.803132 5.146999 -0.076234\n1.800514 0.017920 -4.890278\nLi Np O\n8 4 11\ndirect\n0.751265 0.505366 0.030431 Li\n0.966578 0.974590 0.465418 Li\n0.186488 0.626925 0.468309 Li\n0.836740 0.386663 0.485766 Li\n0.700231 0.623698 0.511409 Li\n0.271990 0.332408 0.542715 Li\n0.575036 0.131463 0.554846 Li\n0.220304 0.498786 0.963407 Li\n0.421970 0.130037 0.986198 Np\n0.577343 0.797708 0.988787 Np\n0.908734 0.162235 0.992135 Np\n0.087856 0.851783 0.998976 Np\n0.949059 0.570678 0.226773 O\n0.270018 0.877965 0.232430 O\n0.788181 0.893487 0.240051 O\n0.635293 0.244362 0.252435 O\n0.104484 0.226923 0.260942 O\n0.890415 0.778018 0.740999 O\n0.361321 0.724765 0.741272 O\n0.565204 0.421014 0.741856 O\n0.699771 0.051663 0.742756 O\n0.033623 0.430414 0.749429 O\n0.243553 0.180476 0.837358 O\n",
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{
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"created_at": "2022-09-04T15:18:00.586608Z",
"updated_at": "2022-09-04T15:18:00.586636Z",
"structure_string": "Li8 Mn2 Ni2 O11\n1.0\n-4.935463 -8.519881 0.012625\n-2.457676 4.254182 -0.000279\n1.677548 0.005801 -4.673382\nLi Mn Ni O\n8 2 2 11\ndirect\n0.750824 0.501150 0.001729 Li\n0.833018 0.331889 0.492783 Li\n0.994030 0.007613 0.494524 Li\n0.171860 0.656830 0.497115 Li\n0.690409 0.666461 0.512804 Li\n0.500530 0.045143 0.522462 Li\n0.315754 0.308094 0.531144 Li\n0.236509 0.493744 0.978651 Li\n0.082670 0.835303 0.003094 Mn\n0.587209 0.842974 0.986983 Mn\n0.410528 0.140963 0.994390 Ni\n0.917357 0.170653 0.994641 Ni\n0.791557 0.935776 0.219805 O\n0.963766 0.570614 0.223979 O\n0.112036 0.228260 0.229399 O\n0.290691 0.937649 0.233432 O\n0.605372 0.222073 0.238673 O\n0.724532 0.083332 0.748542 O\n0.385417 0.746480 0.750248 O\n0.891866 0.788462 0.772744 O\n0.035026 0.426436 0.774596 O\n0.213168 0.074131 0.783632 O\n0.530842 0.416328 0.788674 O\n",
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{
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"created_at": "2022-09-04T15:18:00.691493Z",
"updated_at": "2022-09-04T15:18:00.691534Z",
"structure_string": "K4 Li8 O11\n1.0\n-6.449119 -9.992789 0.879310\n-3.161846 4.952500 0.260738\n2.829527 0.083854 -4.661658\nK Li O\n4 8 11\ndirect\n0.638026 0.924816 0.142914 K\n0.152031 0.969352 0.207136 K\n0.420276 0.150266 0.928080 K\n0.907180 0.167623 0.941836 K\n0.405701 0.868143 0.395866 Li\n0.905310 0.830494 0.425385 Li\n0.414033 0.498358 0.513623 Li\n0.619840 0.570034 0.518528 Li\n0.916356 0.495084 0.552646 Li\n0.145034 0.611298 0.578466 Li\n0.655614 0.296435 0.725334 Li\n0.206778 0.358292 0.847246 Li\n0.480647 0.652261 0.285514 O\n0.730654 0.508160 0.356782 O\n0.007290 0.679720 0.369830 O\n0.242927 0.546881 0.383778 O\n0.919176 0.160685 0.444487 O\n0.480446 0.260488 0.531654 O\n0.596676 0.893493 0.625949 O\n0.128380 0.949121 0.693628 O\n0.805717 0.583530 0.694365 O\n0.319104 0.586598 0.705189 O\n0.055800 0.422899 0.756027 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"K",
"Li",
"O"
],
"chemical_system": "K-Li-O",
"density": 2.330560192837289,
"density_atomic": 0.08321525287336153,
"volume": 276.39163742014716,
"volume_molar": 7.236823241004389,
"formula_full": "K4 Li8 O11",
"formula_reduced": "K4Li8O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -1.47421009628984,
"spacegroup": 1
}
]
}