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{
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"structure_string": "Li2 Fe8 B8 O24\n1.0\n5.236202 0.000000 0.000000\n0.123640 9.117155 0.000000\n0.063583 0.005301 10.225685\nLi Fe B O\n2 8 8 24\ndirect\n0.160741 0.178171 0.669383 Li\n0.189492 0.172674 0.172509 Li\n0.169413 0.832837 0.627501 Fe\n0.173656 0.508632 0.126175 Fe\n0.323264 0.991699 0.881031 Fe\n0.331789 0.663756 0.374833 Fe\n0.667916 0.343688 0.626406 Fe\n0.671361 0.996500 0.127934 Fe\n0.824654 0.156572 0.383418 Fe\n0.828031 0.492487 0.880053 Fe\n0.157948 0.496782 0.624936 B\n0.165451 0.835566 0.130982 B\n0.339998 0.992598 0.372023 B\n0.329427 0.663085 0.873965 B\n0.667034 0.005271 0.630798 B\n0.675579 0.326961 0.126015 B\n0.837841 0.499887 0.376660 B\n0.815701 0.169140 0.875246 B\n0.086211 0.506627 0.321029 O\n0.068707 0.153811 0.852955 O\n0.219810 0.786330 0.816427 O\n0.254063 0.863085 0.432609 O\n0.187282 0.112179 0.358643 O\n0.167585 0.561113 0.934720 O\n0.306668 0.372251 0.626038 O\n0.308460 0.957169 0.092551 O\n0.240772 0.626689 0.569038 O\n0.293760 0.707344 0.173285 O\n0.414604 0.344358 0.133651 O\n0.404272 0.004892 0.659171 O\n0.587280 0.993518 0.322171 O\n0.584220 0.640543 0.874254 O\n0.690335 0.299273 0.828866 O\n0.768563 0.372237 0.440526 O\n0.676632 0.616278 0.367650 O\n0.667696 0.064533 0.938170 O\n0.829931 0.437969 0.075494 O\n0.820747 0.885057 0.635751 O\n0.776346 0.140479 0.594705 O\n0.801445 0.199749 0.167824 O\n0.908575 0.842238 0.126882 O\n0.914909 0.494142 0.682041 O\n",
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{
"id": "mp-762922",
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"structure_string": "Li8 V4 O8 F4\n1.0\n3.011269 7.352527 0.000000\n-3.011269 7.352527 0.000000\n0.000000 0.016194 5.207184\nLi V O F\n8 4 8 4\ndirect\n0.809082 0.325852 0.149044 Li\n0.569684 0.569684 0.700940 Li\n0.922471 0.922471 0.336196 Li\n0.325852 0.809082 0.149044 Li\n0.655593 0.200591 0.843517 Li\n0.077069 0.077069 0.662004 Li\n0.430579 0.430579 0.315147 Li\n0.200591 0.655593 0.843517 Li\n0.008728 0.497886 0.504569 V\n0.751866 0.751866 0.986232 V\n0.497886 0.008728 0.504569 V\n0.250673 0.250673 0.004194 V\n0.925886 0.427618 0.828811 O\n0.825437 0.825437 0.651942 O\n0.500655 0.500655 0.005586 O\n0.580171 0.063845 0.168825 O\n0.427618 0.925886 0.828811 O\n0.326985 0.326985 0.675678 O\n0.176974 0.176974 0.341585 O\n0.063845 0.580171 0.168825 O\n0.999322 0.999322 0.999375 F\n0.758468 0.244338 0.499577 F\n0.669454 0.669454 0.332368 F\n0.244338 0.758468 0.499577 F\n",
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{
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"structure_string": "Na1 Sr1 La1 Fe1 O6\n1.0\n0.000000 -4.173878 -4.173878\n4.173878 -0.000000 -4.173878\n4.173878 -4.173878 0.000000\nNa Sr La Fe O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 La\n0.000000 -0.000000 0.000000 Fe\n0.776188 0.223812 0.223812 O\n0.223812 0.776188 0.776188 O\n0.776188 0.223812 0.776188 O\n0.223812 0.776188 0.223812 O\n0.776188 0.776188 0.223812 O\n0.223812 0.223812 0.776188 O\n",
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{
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"structure_string": "Eu1 Cd3\n1.0\n0.000000 3.705226 3.705226\n3.705226 0.000000 3.705226\n3.705226 3.705226 0.000000\nEu Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Eu\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n",
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{
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"structure_string": "Ni2 H48 C12 S12 N28 O12\n1.0\n0.000000 -9.624355 0.000000\n-11.544188 -4.812178 0.000000\n-0.851549 -4.812178 -12.883761\nNi H C S N O\n2 48 12 12 28 12\ndirect\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.854078 0.030091 0.911553 H\n0.795723 0.469909 0.588447 H\n0.145922 0.969909 0.088447 H\n0.204277 0.530091 0.411553 H\n0.955202 0.128890 0.867758 H\n0.951850 0.371110 0.632242 H\n0.044798 0.871110 0.132242 H\n0.048150 0.628890 0.367758 H\n0.581246 0.098604 0.993833 H\n0.673683 0.401396 0.506167 H\n0.418754 0.901396 0.006167 H\n0.326317 0.598604 0.493833 H\n0.478187 0.249165 0.996281 H\n0.723633 0.250835 0.503719 H\n0.521813 0.750835 0.003719 H\n0.276367 0.749165 0.496281 H\n0.407627 0.397603 0.714341 H\n0.519571 0.102397 0.785659 H\n0.592373 0.602397 0.285659 H\n0.480429 0.897603 0.214341 H\n0.510777 0.406704 0.794802 H\n0.712282 0.093296 0.705198 H\n0.489223 0.593296 0.205198 H\n0.287718 0.906704 0.294802 H\n0.153086 0.404627 0.782591 H\n0.340304 0.095373 0.717409 H\n0.846914 0.595373 0.217409 H\n0.659696 0.904627 0.282591 H\n0.046155 0.440319 0.911755 H\n0.398229 0.059681 0.588245 H\n0.953845 0.559681 0.088245 H\n0.601771 0.940319 0.411755 H\n0.153338 0.780017 0.827793 H\n0.761149 0.719983 0.672207 H\n0.846662 0.219983 0.172207 H\n0.238851 0.280017 0.327793 H\n0.226217 0.705190 0.931167 H\n0.862574 0.794810 0.568833 H\n0.773783 0.294810 0.068833 H\n0.137426 0.205190 0.431167 H\n0.316788 0.785059 0.663844 H\n0.765691 0.714941 0.836156 H\n0.683212 0.214941 0.336156 H\n0.234309 0.285059 0.163844 H\n0.518671 0.702442 0.632421 H\n0.853535 0.797558 0.867579 H\n0.481329 0.297558 0.367579 H\n0.146465 0.202442 0.132421 H\n0.716043 0.203107 0.927732 C\n0.846883 0.296893 0.572268 C\n0.283957 0.796893 0.072268 C\n0.153117 0.703107 0.427732 C\n0.279309 0.424924 0.867229 C\n0.571462 0.075076 0.632771 C\n0.720691 0.575076 0.132771 C\n0.428538 0.924924 0.367229 C\n0.392757 0.695762 0.787676 C\n0.876195 0.804238 0.712324 C\n0.607243 0.304238 0.212324 C\n0.123805 0.195762 0.287676 C\n0.723679 0.341030 0.900513 S\n0.965222 0.158970 0.599487 S\n0.276321 0.658970 0.099487 S\n0.034778 0.841030 0.400513 S\n0.272636 0.448805 0.988055 S\n0.709496 0.051195 0.511945 S\n0.727364 0.551195 0.011945 S\n0.290504 0.948805 0.488055 S\n0.556292 0.609495 0.824784 S\n0.990572 0.890505 0.675216 S\n0.443708 0.390505 0.175216 S\n0.009428 0.109495 0.324784 S\n0.850840 0.113960 0.896152 N\n0.860952 0.386040 0.603848 N\n0.149160 0.886040 0.103848 N\n0.139048 0.613960 0.396152 N\n0.582287 0.181432 0.976953 N\n0.740672 0.318568 0.523047 N\n0.417713 0.818568 0.023047 N\n0.259328 0.681432 0.476953 N\n0.410863 0.404682 0.786412 N\n0.601957 0.095318 0.713588 N\n0.589137 0.595318 0.213588 N\n0.398043 0.904682 0.286412 N\n0.149158 0.424419 0.852694 N\n0.426272 0.075581 0.647306 N\n0.850842 0.575581 0.147306 N\n0.573728 0.924419 0.352694 N\n0.246418 0.728506 0.853729 N\n0.828653 0.771494 0.646271 N\n0.753582 0.271494 0.146271 N\n0.171347 0.228506 0.353729 N\n0.411932 0.733176 0.687620 N\n0.832729 0.766824 0.812380 N\n0.588068 0.266824 0.312380 N\n0.167271 0.233176 0.187620 N\n0.214166 0.121987 0.933580 N\n0.269733 0.378013 0.566420 N\n0.785834 0.878013 0.066420 N\n0.730267 0.621987 0.433580 N\n0.107202 0.144043 0.020599 O\n0.271844 0.355957 0.479401 O\n0.892798 0.855957 0.979401 O\n0.728156 0.644043 0.520599 O\n0.176579 0.134292 0.851668 O\n0.162538 0.365708 0.648332 O\n0.823421 0.865708 0.148332 O\n0.837462 0.634292 0.351668 O\n0.359006 0.086286 0.929419 O\n0.374711 0.413714 0.570581 O\n0.640994 0.913714 0.070581 O\n0.625289 0.586286 0.429419 O\n",
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{
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{
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"structure_string": "Zn4 Cr12 O28\n1.0\n5.388059 0.000000 0.000000\n0.000000 9.958656 0.000000\n0.000000 0.000000 10.337853\nZn Cr O\n4 12 28\ndirect\n0.363511 0.045354 0.250000 Zn\n0.863511 0.454646 0.750000 Zn\n0.636489 0.954646 0.750000 Zn\n0.136489 0.545354 0.250000 Zn\n0.707654 0.691002 0.976549 Cr\n0.207654 0.808998 0.023451 Cr\n0.292346 0.308998 0.476549 Cr\n0.792346 0.191002 0.523451 Cr\n0.702861 0.773021 0.250000 Cr\n0.202861 0.726979 0.750000 Cr\n0.297139 0.226979 0.750000 Cr\n0.797139 0.273021 0.250000 Cr\n0.207654 0.808998 0.476549 Cr\n0.707654 0.691002 0.523451 Cr\n0.792346 0.191002 0.976549 Cr\n0.292346 0.308998 0.023451 Cr\n0.051477 0.286536 0.881171 O\n0.551477 0.213464 0.118829 O\n0.948523 0.713464 0.381171 O\n0.448523 0.786536 0.618829 O\n0.948523 0.713464 0.118829 O\n0.448523 0.786536 0.881171 O\n0.051477 0.286536 0.618829 O\n0.551477 0.213464 0.381171 O\n0.529658 0.281916 0.883149 O\n0.029658 0.218084 0.116851 O\n0.470342 0.718084 0.383149 O\n0.970342 0.781916 0.616851 O\n0.470342 0.718084 0.116851 O\n0.970342 0.781916 0.883149 O\n0.529658 0.281916 0.616851 O\n0.029658 0.218084 0.383149 O\n0.815239 0.446802 0.250000 O\n0.315239 0.053198 0.750000 O\n0.184761 0.553198 0.750000 O\n0.684761 0.946802 0.250000 O\n0.775217 0.034646 0.588609 O\n0.275217 0.465354 0.411391 O\n0.224783 0.965354 0.088609 O\n0.724783 0.534646 0.911391 O\n0.224783 0.965354 0.411391 O\n0.724783 0.534646 0.588609 O\n0.775217 0.034646 0.911391 O\n0.275217 0.465354 0.088609 O\n",
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{
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"structure_string": "Ba2 Ce6\n1.0\n3.609654 -6.252103 0.000000\n3.609654 6.252103 0.000000\n0.000000 0.000000 5.927466\nBa Ce\n2 6\ndirect\n0.333333 0.666667 0.750000 Ba\n0.666667 0.333333 0.250000 Ba\n0.133516 0.267031 0.250000 Ce\n0.732969 0.866484 0.250000 Ce\n0.133516 0.866484 0.250000 Ce\n0.866484 0.732969 0.750000 Ce\n0.267031 0.133516 0.750000 Ce\n0.866484 0.133516 0.750000 Ce\n",
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{
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"structure_string": "Ca2 P4 H2 O16\n1.0\n5.744105 -0.159561 -0.673446\n-2.860773 5.745310 -0.233804\n0.013480 0.219551 12.531399\nCa P H O\n2 4 2 16\ndirect\n0.459622 0.234347 0.405393 Ca\n0.540378 0.765653 0.594607 Ca\n0.029252 0.275913 0.598228 P\n0.970748 0.724087 0.401772 P\n0.237067 0.377942 0.133457 P\n0.762933 0.622058 0.866543 P\n0.568113 0.998020 0.249852 H\n0.431887 0.001980 0.750148 H\n0.343049 0.222626 0.083940 O\n0.656951 0.777374 0.916060 O\n0.097951 0.506622 0.666862 O\n0.902049 0.493378 0.333138 O\n0.013542 0.092852 0.679672 O\n0.986458 0.907148 0.320328 O\n0.357197 0.628832 0.096126 O\n0.642803 0.371168 0.903874 O\n0.940616 0.268132 0.091335 O\n0.059384 0.731868 0.908665 O\n0.256157 0.337065 0.530905 O\n0.743843 0.662935 0.469095 O\n0.759172 0.172627 0.526601 O\n0.240828 0.827373 0.473399 O\n0.303006 0.384776 0.255587 O\n0.696994 0.615224 0.744413 O\n",
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{
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"structure_string": "Zn2 W2 F8\n1.0\n2.951820 6.211888 0.000000\n-2.951820 6.211888 0.000000\n0.000000 2.782871 5.188947\nZn W F\n2 2 8\ndirect\n0.242963 0.757037 0.500000 Zn\n0.743590 0.256410 0.000000 Zn\n0.497122 0.002493 0.750114 W\n0.997507 0.502878 0.249886 W\n0.451773 0.302438 0.802059 F\n0.190435 0.048314 0.050819 F\n0.546388 0.697772 0.701761 F\n0.041865 0.199991 0.555552 F\n0.800009 0.958135 0.444448 F\n0.302228 0.453612 0.298239 F\n0.951686 0.809565 0.949181 F\n0.697562 0.548227 0.197941 F\n",
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"elements": [
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],
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"density": 5.676280076852929,
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"formula_full": "Zn2 W2 F8",
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"spacegroup": 140
},
{
"id": "mp-1179275",
"created_at": "2022-09-04T14:45:10.090276Z",
"structure_string": "Si16 O36\n1.0\n-3.756103 3.756103 15.037684\n3.756103 -3.756103 15.037684\n3.756103 3.756103 -15.037684\nSi O\n16 36\ndirect\n0.956461 0.043539 0.500000 Si\n0.543539 0.456461 0.500000 Si\n0.206461 0.793539 0.000000 Si\n0.793539 0.206461 0.000000 Si\n0.956461 0.456461 0.912921 Si\n0.543539 0.043539 0.087079 Si\n0.206461 0.206461 0.412921 Si\n0.793539 0.793539 0.587079 Si\n0.177072 0.471222 0.294150 Si\n0.177072 0.882922 0.705850 Si\n0.572928 0.367078 0.794150 Si\n0.572928 0.778778 0.205850 Si\n0.528778 0.822928 0.705850 Si\n0.117078 0.822928 0.294150 Si\n0.632922 0.427072 0.205850 Si\n0.221222 0.427072 0.794150 Si\n0.134555 0.285471 0.150916 O\n0.134555 0.983639 0.849084 O\n0.615445 0.266361 0.650916 O\n0.615445 0.964529 0.349084 O\n0.714529 0.865445 0.849084 O\n0.016361 0.865445 0.150916 O\n0.733639 0.384555 0.349084 O\n0.035471 0.384555 0.650916 O\n0.220761 0.634035 0.940721 O\n0.693314 0.280041 0.059279 O\n0.056686 0.969959 0.440721 O\n0.529239 0.615965 0.559279 O\n0.220761 0.280041 0.586727 O\n0.693314 0.634035 0.413273 O\n0.056686 0.615965 0.086727 O\n0.529239 0.969959 0.913273 O\n0.365965 0.779239 0.059279 O\n0.719959 0.306686 0.940721 O\n0.030041 0.943314 0.559279 O\n0.384035 0.470761 0.440721 O\n0.365965 0.306686 0.586727 O\n0.719959 0.779239 0.413273 O\n0.030041 0.470761 0.086727 O\n0.384035 0.943314 0.913273 O\n0.341356 0.841356 0.500000 O\n0.408644 0.408644 0.000000 O\n0.158644 0.658644 0.500000 O\n0.591356 0.591356 0.000000 O\n0.012461 0.253735 0.241274 O\n0.012461 0.771188 0.758726 O\n0.737539 0.478812 0.741274 O\n0.737539 0.996265 0.258726 O\n0.746265 0.987539 0.758726 O\n0.228812 0.987539 0.241274 O\n0.521188 0.262461 0.258726 O\n0.003735 0.262461 0.741274 O\n",
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"elements": [
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],
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"density": 2.0063365122244474,
"density_atomic": 0.06127557734843198,
"volume": 848.625214974505,
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"formula_full": "Si16 O36",
"formula_reduced": "Si4O9",
"formula_anonymous": "A4B9",
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"spacegroup": 141
},
{
"id": "mp-1306001",
"created_at": "2022-09-04T14:45:11.542129Z",
"structure_string": "Li8 Ni6 Sb2 O16\n1.0\n-0.005559 3.128555 -5.118432\n3.459394 4.154813 2.535809\n6.867767 -4.170822 -2.561274\nLi Ni Sb O\n8 6 2 16\ndirect\n0.997092 0.000668 0.498920 Li\n0.503320 0.499904 0.000469 Li\n0.250174 0.249974 0.249992 Li\n0.750334 0.749813 0.749973 Li\n0.250190 0.750143 0.749971 Li\n0.750648 0.250693 0.249951 Li\n0.498972 0.999887 0.499245 Li\n0.001152 0.500140 0.000355 Li\n0.749861 0.750018 0.250042 Ni\n0.250028 0.249827 0.750015 Ni\n0.249876 0.749869 0.250044 Ni\n0.749885 0.249794 0.749970 Ni\n0.498426 0.000096 0.000214 Ni\n0.001436 0.500053 0.499933 Ni\n0.997437 0.999992 0.000042 Sb\n0.502491 0.499992 0.500061 Sb\n0.482195 0.029050 0.756691 O\n0.017288 0.527217 0.256712 O\n0.017390 0.470587 0.743503 O\n0.482177 0.972703 0.243368 O\n0.238413 0.761970 0.009728 O\n0.741533 0.263242 0.499525 O\n0.261527 0.738139 0.490399 O\n0.758457 0.236716 0.000495 O\n0.261817 0.261791 0.510194 O\n0.759086 0.763175 0.998816 O\n0.000170 0.000438 0.760960 O\n0.500139 0.499668 0.261294 O\n0.238176 0.238214 0.989806 O\n0.740923 0.736841 0.501201 O\n0.499674 0.499327 0.739097 O\n0.999717 0.000067 0.239021 O\n",
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],
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}
]
}