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{
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"structure_string": "Yb8 Si4 O20\n1.0\n3.185104 7.917371 0.000000\n-3.185104 7.917371 0.000000\n0.000000 6.946416 8.795992\nYb Si O\n8 4 20\ndirect\n0.241372 0.891633 0.546967 Yb\n0.108367 0.758628 0.953033 Yb\n0.758628 0.108367 0.453033 Yb\n0.891633 0.241372 0.046967 Yb\n0.206089 0.451373 0.313032 Yb\n0.548627 0.793911 0.186968 Yb\n0.793911 0.548627 0.686968 Yb\n0.451373 0.206089 0.813032 Yb\n0.745638 0.914117 0.312617 Si\n0.085883 0.254362 0.187383 Si\n0.254362 0.085883 0.687383 Si\n0.914117 0.745638 0.812617 Si\n0.464033 0.572903 0.027519 O\n0.427097 0.535967 0.472481 O\n0.535967 0.427097 0.972481 O\n0.572903 0.464033 0.527519 O\n0.872864 0.762719 0.448137 O\n0.237281 0.127136 0.051863 O\n0.127136 0.237281 0.551863 O\n0.762719 0.872864 0.948137 O\n0.590139 0.841989 0.343918 O\n0.158011 0.409861 0.156082 O\n0.409861 0.158011 0.656082 O\n0.841989 0.590139 0.843918 O\n0.972829 0.856176 0.158936 O\n0.143824 0.027171 0.341064 O\n0.027171 0.143824 0.841064 O\n0.856176 0.972829 0.658936 O\n0.596796 0.195271 0.289351 O\n0.804729 0.403204 0.210649 O\n0.403204 0.804729 0.710649 O\n0.195271 0.596796 0.789351 O\n",
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{
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.892921 0.000000 0.000000\n0.000000 8.525168 0.000000\n0.000000 0.046799 11.826481\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.743527 0.862167 Li\n0.500000 0.240174 0.620899 Li\n0.500000 0.764322 0.387793 Li\n0.000000 0.498030 0.992734 Li\n0.000000 0.002164 0.742860 Li\n0.000000 0.499200 0.501981 Li\n0.500000 0.258775 0.126845 Li\n0.000000 0.003224 0.257843 Li\n0.000000 0.999906 0.501346 Li\n0.000000 0.001796 0.997016 Mn\n0.500000 0.744639 0.127902 Mn\n0.000000 0.504055 0.742004 Co\n0.000000 0.496857 0.257879 Co\n0.500000 0.261157 0.874800 Co\n0.500000 0.775632 0.621042 Co\n0.500000 0.222216 0.376553 Co\n0.500000 0.002892 0.886339 O\n0.500000 0.497976 0.630086 O\n0.500000 0.010562 0.371660 O\n0.000000 0.735452 0.017548 O\n0.000000 0.254888 0.762035 O\n0.000000 0.747542 0.510797 O\n0.500000 0.516491 0.144561 O\n0.000000 0.253156 0.257766 O\n0.500000 0.497679 0.867063 O\n0.500000 0.987470 0.627447 O\n0.500000 0.498105 0.363057 O\n0.000000 0.256265 0.995677 O\n0.000000 0.741512 0.741781 O\n0.000000 0.250737 0.484905 O\n0.500000 0.977294 0.111139 O\n0.000000 0.756307 0.236478 O\n",
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"density_atomic": 0.10971219896587732,
"volume": 291.67221422617405,
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"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
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"energy": -206.95092618,
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{
"id": "mp-975521",
"created_at": "2022-09-04T14:48:24.943818Z",
"structure_string": "Nd1 Mg1 O3\n1.0\n3.908802 0.000000 0.000000\n0.000000 3.908802 0.000000\n0.000000 0.000000 3.908802\nNd Mg O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Nd1 Mg1 O3",
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},
{
"id": "mp-1220983",
"created_at": "2022-09-04T14:48:21.293399Z",
"structure_string": "Na1 Mo2 P4 O14\n1.0\n4.976808 0.000000 0.000000\n-2.048864 6.840181 0.000000\n-0.365601 -0.355227 8.426092\nNa Mo P O\n1 2 4 14\ndirect\n0.595457 0.990447 0.026433 Na\n0.499689 0.000650 0.501136 Mo\n0.000229 0.500548 0.999570 Mo\n0.476863 0.368535 0.242929 P\n0.522742 0.630906 0.756678 P\n0.880397 0.757124 0.305795 P\n0.120089 0.241999 0.694817 P\n0.690450 0.895374 0.318292 O\n0.309611 0.104744 0.680268 O\n0.875148 0.192215 0.568465 O\n0.125015 0.807696 0.431601 O\n0.228686 0.442604 0.200875 O\n0.771325 0.557563 0.799024 O\n0.030671 0.244965 0.865330 O\n0.967343 0.755261 0.134620 O\n0.296974 0.458179 0.649803 O\n0.702546 0.541639 0.350420 O\n0.627057 0.320292 0.098413 O\n0.374400 0.679619 0.901920 O\n0.606657 0.805024 0.650649 O\n0.393552 0.194818 0.349263 O\n",
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"density_atomic": 0.07321070984875953,
"volume": 286.84327803107374,
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"formula_full": "Na1 Mo2 P4 O14",
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{
"id": "mp-643841",
"created_at": "2022-09-04T14:48:22.546980Z",
"structure_string": "K1 V2 P2 H4 O13\n1.0\n6.256664 0.000000 0.000000\n-0.117654 -6.296059 0.000000\n-1.898148 0.027215 -6.651229\nK V P H O\n1 2 2 4 13\ndirect\n0.000000 0.000000 0.000000 K\n0.286204 0.754972 0.598072 V\n0.713796 0.245028 0.401928 V\n0.249733 0.250097 0.501252 P\n0.750267 0.749903 0.498748 P\n0.506733 0.724545 0.035872 H\n0.493267 0.275455 0.964128 H\n0.253546 0.636220 0.983220 H\n0.746454 0.363780 0.016780 H\n0.287804 0.060727 0.649196 O\n0.712196 0.939273 0.350804 O\n0.604675 0.768991 0.647055 O\n0.395325 0.231009 0.352945 O\n0.306863 0.449664 0.635824 O\n0.693137 0.550336 0.364176 O\n0.991081 0.747138 0.636082 O\n0.008919 0.252862 0.363918 O\n0.359153 0.740041 0.943119 O\n0.640847 0.259959 0.056881 O\n0.215979 0.759995 0.356117 O\n0.784021 0.240005 0.643883 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 22,
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"elements": [
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],
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"formula_full": "K1 V2 P2 H4 O13",
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{
"id": "mp-1343548",
"created_at": "2022-09-04T14:48:22.568229Z",
"structure_string": "Mg2 Ni8 O18\n1.0\n5.351488 0.000000 0.000000\n-0.016177 8.138893 0.000000\n-0.038129 -0.316860 8.294646\nMg Ni O\n2 8 18\ndirect\n0.764503 0.753648 0.738666 Mg\n0.235886 0.256725 0.237347 Mg\n0.411086 0.665841 0.465467 Ni\n0.599618 0.530072 0.163945 Ni\n0.404224 0.031357 0.662784 Ni\n0.583902 0.163025 0.968503 Ni\n0.465175 0.835958 0.033066 Ni\n0.449212 0.469381 0.842235 Ni\n0.545798 0.336687 0.531086 Ni\n0.545305 0.969963 0.340104 Ni\n0.494673 0.753387 0.241557 O\n0.519760 0.254090 0.745833 O\n0.870733 0.109996 0.338247 O\n0.874994 0.253294 0.419892 O\n0.898210 0.233409 0.096241 O\n0.905028 0.384232 0.171797 O\n0.094494 0.889140 0.663862 O\n0.095280 0.740888 0.583293 O\n0.130591 0.753764 0.928389 O\n0.123253 0.608410 0.851312 O\n0.625150 0.648522 0.953679 O\n0.580572 0.946190 0.855895 O\n0.570033 0.547817 0.644216 O\n0.588121 0.863437 0.538504 O\n0.377022 0.147375 0.451170 O\n0.412664 0.042164 0.140315 O\n0.421096 0.449455 0.353012 O\n0.413614 0.361773 0.039581 O\n",
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"formula_full": "Mg2 Ni8 O18",
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{
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{
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"structure_string": "Rb1 Mg14 Co1\n1.0\n6.544028 0.074052 0.000000\n-3.207883 5.556216 0.000000\n0.000000 0.000000 10.396056\nRb Mg Co\n1 14 1\ndirect\n0.117390 0.808694 0.125000 Rb\n0.165270 0.332634 0.625000 Mg\n0.174817 0.837408 0.625000 Mg\n0.616720 0.316802 0.125000 Mg\n0.665755 0.327171 0.625000 Mg\n0.616720 0.799917 0.125000 Mg\n0.665755 0.838583 0.625000 Mg\n0.342085 0.182258 0.379618 Mg\n0.342085 0.182258 0.870382 Mg\n0.342085 0.659828 0.379618 Mg\n0.342085 0.659828 0.870382 Mg\n0.859895 0.179948 0.345777 Mg\n0.859895 0.179948 0.904223 Mg\n0.826860 0.663430 0.397734 Mg\n0.826860 0.663430 0.852266 Mg\n0.235723 0.367861 0.125000 Co\n",
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{
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{
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"structure_string": "Li8 V4 O8 F4\n1.0\n-3.029588 0.000000 0.000000\n1.495005 7.774060 0.000000\n-0.009662 -3.239780 -9.865545\nLi V O F\n8 4 8 4\ndirect\n0.590656 0.165396 0.129736 Li\n0.917783 0.842294 0.137180 Li\n0.923565 0.856930 0.614602 Li\n0.558030 0.122610 0.593990 Li\n0.058300 0.133165 0.374526 Li\n0.427433 0.860236 0.896256 Li\n0.435643 0.866550 0.397732 Li\n0.069449 0.152169 0.870169 Li\n0.758669 0.502353 0.373155 V\n0.752630 0.498995 0.882502 V\n0.242264 0.499508 0.125574 V\n0.234251 0.476970 0.611119 V\n0.660543 0.344352 0.004466 O\n0.681707 0.346077 0.502706 O\n0.819944 0.645027 0.239846 O\n0.999570 0.998842 0.499075 O\n0.174793 0.349214 0.254647 O\n0.196799 0.371614 0.763104 O\n0.334195 0.642279 0.499055 O\n0.316612 0.656799 0.996106 O\n0.831720 0.660070 0.745324 F\n0.994692 0.998715 0.000936 F\n0.499581 0.998852 0.239603 F\n0.493077 0.995667 0.763140 F\n",
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{
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"updated_at": "2021-11-28T01:39:37.666000Z",
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},
{
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],
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"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
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"updated_at": "2021-11-28T01:39:29.405000Z",
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}
]
}