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{
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{
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"formula_full": "Ba1 Hf1 Mg14 O16",
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{
"id": "mp-884044",
"created_at": "2022-09-04T14:44:00.298939Z",
"structure_string": "Li11 Mn12 B12 O36\n1.0\n10.435948 0.000000 0.000000\n-1.348674 8.787048 0.000000\n-1.295487 -2.948506 8.245219\nLi Mn B O\n11 12 12 36\ndirect\n0.278820 0.978345 0.260921 Li\n0.028954 0.729178 0.011670 Li\n0.937144 0.954240 0.654682 Li\n0.436675 0.454523 0.154285 Li\n0.659103 0.938821 0.959036 Li\n0.408768 0.690916 0.708902 Li\n0.159697 0.443502 0.458857 Li\n0.529636 0.229282 0.512181 Li\n0.778685 0.480721 0.762396 Li\n0.186903 0.203816 0.904145 Li\n0.908603 0.191531 0.208721 Li\n0.063119 0.433259 0.071440 Mn\n0.566142 0.929330 0.569985 Mn\n0.319120 0.682509 0.321552 Mn\n0.015120 0.664817 0.647255 Mn\n0.271701 0.912946 0.898922 Mn\n0.913498 0.901581 0.280170 Mn\n0.665013 0.651399 0.035774 Mn\n0.523084 0.164422 0.150914 Mn\n0.768828 0.419405 0.402242 Mn\n0.165595 0.154993 0.525320 Mn\n0.415085 0.403440 0.776849 Mn\n0.811084 0.181685 0.821801 Mn\n0.209102 0.874692 0.540526 B\n0.540844 0.876462 0.202906 B\n0.708808 0.375638 0.042544 B\n0.963063 0.623537 0.291714 B\n0.000927 0.000079 0.001497 B\n0.494316 0.495846 0.499301 B\n0.751925 0.751862 0.758603 B\n0.249888 0.249670 0.249033 B\n0.040818 0.375317 0.708471 B\n0.290926 0.626566 0.956765 B\n0.458725 0.124266 0.791156 B\n0.790571 0.126480 0.457221 B\n0.117370 0.922236 0.036707 O\n0.169323 0.950071 0.421797 O\n0.502836 0.955056 0.088939 O\n0.453777 0.867786 0.307942 O\n0.200912 0.620407 0.058687 O\n0.121596 0.869120 0.646468 O\n0.090945 0.557297 0.300128 O\n0.334566 0.806738 0.552000 O\n0.665680 0.810327 0.205448 O\n0.921261 0.700358 0.173300 O\n0.008677 0.450165 0.591138 O\n0.257676 0.700987 0.838324 O\n0.237283 0.315192 0.121671 O\n0.748805 0.831177 0.648798 O\n0.470750 0.552197 0.367375 O\n0.642365 0.752500 0.844383 O\n0.144776 0.259570 0.337925 O\n0.393953 0.508156 0.593999 O\n0.617201 0.366170 0.143952 O\n0.878263 0.613706 0.395327 O\n0.833060 0.306642 0.053284 O\n0.416543 0.556863 0.973754 O\n0.164965 0.304567 0.724693 O\n0.615695 0.421773 0.540613 O\n0.367146 0.172838 0.287750 O\n0.867113 0.671626 0.790445 O\n0.674252 0.456096 0.929133 O\n0.422379 0.201352 0.674488 O\n0.758447 0.202343 0.340213 O\n0.895840 0.007895 0.090389 O\n0.700392 0.119765 0.559525 O\n0.950191 0.369527 0.811106 O\n0.369055 0.117488 0.895295 O\n0.583477 0.055596 0.803672 O\n0.915005 0.055798 0.472297 O\n0.991349 0.070392 0.878344 O\n",
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"formula_full": "Li11 Mn12 B12 O36",
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"spacegroup": 1
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{
"id": "mp-567219",
"created_at": "2022-09-04T14:44:00.427334Z",
"structure_string": "Li4 Ca3 Si2 N6\n1.0\n4.877430 2.909600 0.000000\n-4.877430 2.909600 0.000000\n0.000000 0.051202 5.998556\nLi Ca Si N\n4 3 2 6\ndirect\n0.314933 0.963972 0.126292 Li\n0.963972 0.314933 0.126292 Li\n0.685067 0.036028 0.873708 Li\n0.036028 0.685067 0.873708 Li\n0.315217 0.684783 0.500000 Ca\n0.684783 0.315217 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.118962 0.118962 0.669235 Si\n0.881038 0.881038 0.330765 Si\n0.933752 0.635137 0.209244 N\n0.192506 0.192506 0.367069 N\n0.807494 0.807494 0.632931 N\n0.066248 0.364863 0.790756 N\n0.364863 0.066248 0.790756 N\n0.635137 0.933752 0.209244 N\n",
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"formula_full": "Li4 Ca3 Si2 N6",
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{
"id": "mp-557104",
"created_at": "2022-09-04T14:43:59.996883Z",
"structure_string": "Li4 Al4 B8 O20\n1.0\n5.097417 5.034720 0.000000\n-5.097417 5.034720 0.000000\n0.000000 4.774726 8.177109\nLi Al B O\n4 4 8 20\ndirect\n0.376701 0.623299 0.750000 Li\n0.623299 0.376701 0.250000 Li\n0.160283 0.839717 0.250000 Li\n0.839717 0.160283 0.750000 Li\n0.043849 0.346474 0.347892 Al\n0.956151 0.653526 0.652108 Al\n0.653526 0.956151 0.152108 Al\n0.346474 0.043849 0.847892 Al\n0.237910 0.227964 0.091669 B\n0.772036 0.762090 0.408331 B\n0.739993 0.396309 0.971395 B\n0.603691 0.260007 0.528605 B\n0.396309 0.739993 0.471395 B\n0.260007 0.603691 0.028605 B\n0.762090 0.772036 0.908331 B\n0.227964 0.237910 0.591669 B\n0.331565 0.781047 0.894326 O\n0.917196 0.706796 0.470518 O\n0.293204 0.082804 0.029482 O\n0.714086 0.566338 0.017668 O\n0.827802 0.415065 0.813063 O\n0.415065 0.827802 0.313063 O\n0.172198 0.584935 0.186937 O\n0.706796 0.917196 0.970518 O\n0.140330 0.175188 0.254999 O\n0.584935 0.172198 0.686937 O\n0.781047 0.331565 0.394326 O\n0.824812 0.859670 0.245001 O\n0.175188 0.140330 0.754999 O\n0.433662 0.285914 0.482332 O\n0.082804 0.293204 0.529482 O\n0.218953 0.668435 0.605674 O\n0.566338 0.714086 0.517668 O\n0.859670 0.824812 0.745001 O\n0.285914 0.433662 0.982332 O\n0.668435 0.218953 0.105674 O\n",
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{
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"structure_string": "Mg6 Ti1 Zn1 O8\n1.0\n8.684926 -0.000000 0.000000\n0.000000 4.287332 0.000000\n0.000000 0.000000 4.287332\nMg Ti Zn O\n6 1 1 8\ndirect\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.246602 -0.000000 0.500000 Mg\n0.753398 0.000000 0.500000 Mg\n0.246602 0.500000 0.000000 Mg\n0.753398 0.500000 -0.000000 Mg\n0.500000 -0.000000 0.000000 Ti\n-0.000000 -0.000000 0.000000 Zn\n0.250344 0.000000 0.000000 O\n0.749656 -0.000000 -0.000000 O\n0.251256 0.500000 0.500000 O\n0.748744 0.500000 0.500000 O\n-0.000000 -0.000000 0.500000 O\n0.500000 -0.000000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
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{
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"structure_string": "Sr2 Ce2 Ti5 O15\n1.0\n11.383182 -2.764326 0.000000\n11.383182 2.764326 0.000000\n10.711884 0.000000 4.740659\nSr Ce Ti O\n2 2 5 15\ndirect\n0.199916 0.199916 0.199916 Sr\n0.800084 0.800084 0.800084 Sr\n0.602106 0.602106 0.602106 Ce\n0.397894 0.397894 0.397894 Ce\n0.902696 0.902696 0.902696 Ti\n0.698015 0.698015 0.698015 Ti\n0.301985 0.301985 0.301985 Ti\n0.097304 0.097304 0.097304 Ti\n0.500000 0.500000 0.500000 Ti\n0.301378 0.793431 0.301378 O\n0.102891 0.590018 0.102891 O\n0.698622 0.206569 0.698622 O\n0.500000 0.000000 0.500000 O\n0.897109 0.409982 0.897109 O\n0.698622 0.698622 0.206569 O\n0.500000 0.500000 0.000000 O\n0.102891 0.102891 0.590018 O\n0.897109 0.897109 0.409982 O\n0.301378 0.301378 0.793431 O\n0.590018 0.102891 0.102891 O\n0.409982 0.897109 0.897109 O\n0.000000 0.500000 0.500000 O\n0.793431 0.301378 0.301378 O\n0.206569 0.698622 0.698622 O\n",
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{
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"structure_string": "Ho2 Cu2 Pb2 S6\n1.0\n1.974993 -6.560135 0.000000\n1.974993 6.560135 0.000000\n0.000000 0.000000 10.228448\nHo Cu Pb S\n2 2 2 6\ndirect\n0.997143 0.002857 0.498644 Ho\n0.002857 0.997143 0.998644 Ho\n0.466160 0.533840 0.249585 Cu\n0.533840 0.466160 0.749585 Cu\n0.748275 0.251725 0.226581 Pb\n0.251725 0.748275 0.726581 Pb\n0.073262 0.926738 0.250296 S\n0.926738 0.073262 0.750296 S\n0.362568 0.637432 0.434904 S\n0.636816 0.363184 0.564790 S\n0.363184 0.636816 0.064790 S\n0.637432 0.362568 0.934904 S\n",
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}