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{
"id": "mp-7778",
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{
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"formula_full": "Li6 Co4 C8 O24",
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{
"id": "mp-865504",
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"structure_string": "Y1 Al1 Ag2\n1.0\n0.000000 3.430494 3.430494\n3.430494 0.000000 3.430494\n3.430494 3.430494 0.000000\nY Al Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Al\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n",
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"volume": 80.74209018610198,
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"formula_full": "Y1 Al1 Ag2",
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"formula_anonymous": "ABC2",
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{
"id": "mp-768429",
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"structure_string": "Li8 Mn8 B16 O40\n1.0\n11.455663 0.000000 0.000000\n0.000000 5.470506 0.000000\n0.000000 2.310122 11.533984\nLi Mn B O\n8 8 16 40\ndirect\n0.639012 0.367833 0.079034 Li\n0.860988 0.867833 0.079034 Li\n0.121384 0.130785 0.422117 Li\n0.378616 0.630785 0.422117 Li\n0.621384 0.369215 0.577883 Li\n0.878616 0.869215 0.577883 Li\n0.139012 0.132167 0.920966 Li\n0.360988 0.632167 0.920966 Li\n0.376834 0.264108 0.234585 Mn\n0.876250 0.253610 0.263358 Mn\n0.123166 0.764108 0.234585 Mn\n0.623750 0.753610 0.263358 Mn\n0.376250 0.246390 0.736642 Mn\n0.876834 0.235892 0.765415 Mn\n0.123750 0.746390 0.736642 Mn\n0.623166 0.735892 0.765415 Mn\n0.369050 0.136980 0.004255 B\n0.130950 0.636980 0.004255 B\n0.115800 0.299277 0.170428 B\n0.384200 0.799277 0.170428 B\n0.628556 0.210035 0.331082 B\n0.871444 0.710035 0.331082 B\n0.384921 0.149868 0.506645 B\n0.884921 0.350132 0.493355 B\n0.115079 0.649868 0.506645 B\n0.615079 0.850132 0.493355 B\n0.128556 0.289965 0.668918 B\n0.371444 0.789965 0.668918 B\n0.615800 0.200723 0.829572 B\n0.884200 0.700723 0.829572 B\n0.869050 0.363020 0.995745 B\n0.630950 0.863020 0.995745 B\n0.387670 0.316350 0.068766 O\n0.111761 0.380103 0.049815 O\n0.826092 0.289485 0.104314 O\n0.112330 0.816350 0.068766 O\n0.388239 0.880103 0.049815 O\n0.673908 0.789485 0.104314 O\n0.052756 0.096431 0.224095 O\n0.569631 0.102236 0.249960 O\n0.181347 0.427770 0.237865 O\n0.447244 0.596431 0.224095 O\n0.693835 0.418749 0.292837 O\n0.930369 0.602236 0.249960 O\n0.318653 0.927770 0.237865 O\n0.806165 0.918749 0.292837 O\n0.352883 0.253549 0.397386 O\n0.626631 0.109874 0.451124 O\n0.922198 0.191718 0.423328 O\n0.147117 0.753549 0.397386 O\n0.873369 0.609874 0.451124 O\n0.577802 0.691718 0.423328 O\n0.422198 0.308282 0.576672 O\n0.126631 0.390126 0.548876 O\n0.852883 0.246451 0.602614 O\n0.077802 0.808282 0.576672 O\n0.373369 0.890126 0.548876 O\n0.647117 0.746451 0.602614 O\n0.193835 0.081251 0.707163 O\n0.681347 0.072230 0.762135 O\n0.069631 0.397764 0.750040 O\n0.306165 0.581251 0.707163 O\n0.552756 0.403569 0.775905 O\n0.818653 0.572230 0.762135 O\n0.430369 0.897764 0.750040 O\n0.947244 0.903569 0.775905 O\n0.326092 0.210515 0.895686 O\n0.611761 0.119897 0.950185 O\n0.887670 0.183650 0.931234 O\n0.173908 0.710515 0.895686 O\n0.888239 0.619897 0.950185 O\n0.612330 0.683650 0.931234 O\n",
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"volume": 722.8148601135924,
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"formula_full": "Li8 Mn8 B16 O40",
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{
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"structure_string": "Mg4 Sc8 S16\n1.0\n12.810337 0.000000 0.000000\n0.000000 7.476643 0.000000\n0.000000 0.000000 6.326741\nMg Sc S\n4 8 16\ndirect\n0.094110 0.250000 0.926253 Mg\n0.905890 0.750000 0.073747 Mg\n0.405890 0.750000 0.426253 Mg\n0.594110 0.250000 0.573747 Mg\n0.000000 0.000000 0.500000 Sc\n0.500000 0.000000 0.000000 Sc\n0.500000 0.500000 0.000000 Sc\n0.000000 0.500000 0.500000 Sc\n0.234079 0.750000 0.002802 Sc\n0.765921 0.250000 0.997198 Sc\n0.265921 0.250000 0.502802 Sc\n0.734079 0.750000 0.497198 Sc\n0.169668 0.998514 0.734389 S\n0.830332 0.001486 0.265611 S\n0.330332 0.001486 0.234389 S\n0.669668 0.998514 0.765611 S\n0.669668 0.501486 0.765611 S\n0.330332 0.498514 0.234389 S\n0.830332 0.498514 0.265611 S\n0.169668 0.501486 0.734389 S\n0.076623 0.750000 0.254963 S\n0.923377 0.250000 0.745037 S\n0.423377 0.250000 0.754963 S\n0.576623 0.750000 0.245037 S\n0.091275 0.250000 0.302294 S\n0.908725 0.750000 0.697706 S\n0.408725 0.750000 0.802294 S\n0.591275 0.250000 0.197706 S\n",
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{
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"structure_string": "Ba2 Nb8 O22\n1.0\n3.201601 -5.545336 0.000000\n3.201601 5.545336 0.000000\n0.000000 0.000000 12.664123\nBa Nb O\n2 8 22\ndirect\n0.666667 0.333333 0.250000 Ba\n0.333333 0.666667 0.750000 Ba\n0.333333 0.666667 0.250000 Nb\n0.666667 0.333333 0.750000 Nb\n0.354432 0.354432 0.500000 Nb\n0.645568 0.000000 0.500000 Nb\n0.000000 0.645568 0.500000 Nb\n0.645568 0.645568 0.000000 Nb\n0.354432 0.000000 0.000000 Nb\n0.000000 0.354432 0.000000 Nb\n0.333333 0.666667 0.966482 O\n0.666667 0.333333 0.033518 O\n0.666667 0.333333 0.466482 O\n0.333333 0.666667 0.533518 O\n0.756524 0.756524 0.500000 O\n0.243476 0.000000 0.500000 O\n0.000000 0.243476 0.500000 O\n0.243476 0.243476 0.000000 O\n0.756524 0.000000 0.000000 O\n0.000000 0.756524 0.000000 O\n0.364131 0.929002 0.152187 O\n0.070998 0.435128 0.152187 O\n0.564872 0.635869 0.152187 O\n0.929002 0.364131 0.847813 O\n0.435128 0.070998 0.847813 O\n0.635869 0.564872 0.847813 O\n0.635869 0.070998 0.652187 O\n0.929002 0.564872 0.652187 O\n0.435128 0.364131 0.652187 O\n0.070998 0.635869 0.347813 O\n0.564872 0.929002 0.347813 O\n0.364131 0.435128 0.347813 O\n",
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{
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{
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{
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"structure_string": "Ce2 Mn5 Ni5\n1.0\n3.998378 0.000000 0.000000\n0.000000 5.130165 0.000000\n0.000000 0.000000 8.760543\nCe Mn Ni\n2 5 5\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.500000 Ce\n0.000000 0.000000 0.341096 Mn\n0.000000 0.500000 0.833285 Mn\n0.000000 0.500000 0.166715 Mn\n0.000000 0.000000 0.658904 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Ni\n0.500000 0.251777 0.252509 Ni\n0.500000 0.748223 0.747491 Ni\n0.500000 0.748223 0.252509 Ni\n0.500000 0.251777 0.747491 Ni\n",
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{
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{
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{
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"structure_string": "Cs4 Zr4 Zn2 H24 O12 F24\n1.0\n10.772849 0.000000 0.000000\n0.000000 6.950083 0.000000\n0.000000 6.255826 13.550864\nCs Zr Zn H O F\n4 4 2 24 12 24\ndirect\n0.209874 0.474845 0.584113 Cs\n0.290126 0.474845 0.084113 Cs\n0.790126 0.525155 0.415887 Cs\n0.709874 0.525155 0.915887 Cs\n0.464159 0.119275 0.866476 Zr\n0.035841 0.119275 0.366476 Zr\n0.535841 0.880725 0.133524 Zr\n0.964159 0.880725 0.633524 Zr\n0.500000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.113640 0.031482 0.201894 H\n0.386360 0.031482 0.701894 H\n0.886360 0.968518 0.798106 H\n0.613640 0.968518 0.298106 H\n0.731831 0.152454 0.295321 H\n0.768169 0.152454 0.795321 H\n0.268169 0.847546 0.704679 H\n0.231831 0.847546 0.204679 H\n0.328522 0.946613 0.421923 H\n0.171478 0.946613 0.921923 H\n0.671478 0.053387 0.578077 H\n0.828522 0.053387 0.078077 H\n0.380824 0.546296 0.352919 H\n0.119176 0.546296 0.852919 H\n0.619176 0.453704 0.647081 H\n0.880824 0.453704 0.147081 H\n0.412567 0.621373 0.433669 H\n0.087433 0.621373 0.933669 H\n0.587433 0.378627 0.566331 H\n0.912567 0.378627 0.066331 H\n0.599865 0.217250 0.229923 H\n0.900135 0.217250 0.729923 H\n0.400135 0.782750 0.770077 H\n0.099865 0.782750 0.270077 H\n0.612796 0.506724 0.575635 O\n0.887204 0.506724 0.075635 O\n0.387204 0.493276 0.424365 O\n0.112796 0.493276 0.924365 O\n0.391173 0.847458 0.466065 O\n0.108827 0.847458 0.966065 O\n0.608827 0.152542 0.533935 O\n0.891173 0.152542 0.033935 O\n0.636398 0.122004 0.294649 O\n0.863602 0.122004 0.794649 O\n0.363602 0.877996 0.705351 O\n0.136398 0.877996 0.205351 O\n0.606667 0.037163 0.982920 F\n0.893333 0.037163 0.482920 F\n0.393333 0.962837 0.017080 F\n0.106667 0.962837 0.517080 F\n0.277460 0.120430 0.850003 F\n0.222540 0.120430 0.350003 F\n0.722540 0.879570 0.149997 F\n0.777460 0.879570 0.649997 F\n0.456134 0.411130 0.862503 F\n0.043866 0.411130 0.362503 F\n0.543866 0.588870 0.137497 F\n0.956134 0.588870 0.637497 F\n0.430094 0.203343 0.712779 F\n0.069906 0.203343 0.212779 F\n0.569906 0.796657 0.287221 F\n0.930094 0.796657 0.787221 F\n0.642232 0.210787 0.795976 F\n0.857768 0.210787 0.295976 F\n0.357768 0.789213 0.204024 F\n0.142232 0.789213 0.704024 F\n0.483949 0.821822 0.870943 F\n0.016051 0.821822 0.370943 F\n0.516051 0.178178 0.129057 F\n0.983949 0.178178 0.629057 F\n",
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}