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{
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{
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{
"id": "mp-559994",
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"structure_string": "La24 S16 Br4 N12\n1.0\n4.111800 0.000000 0.000000\n0.000000 11.704360 0.000000\n0.000000 0.000000 27.893189\nLa S Br N\n24 16 4 12\ndirect\n0.750000 0.100030 0.036059 La\n0.250000 0.246567 0.671534 La\n0.750000 0.755011 0.063857 La\n0.750000 0.600030 0.463941 La\n0.250000 0.375630 0.282908 La\n0.250000 0.441766 0.077745 La\n0.750000 0.558234 0.922255 La\n0.250000 0.439036 0.808345 La\n0.250000 0.244989 0.936143 La\n0.750000 0.255011 0.436143 La\n0.250000 0.746567 0.828466 La\n0.750000 0.058234 0.577745 La\n0.750000 0.753433 0.328466 La\n0.750000 0.124370 0.782908 La\n0.250000 0.941766 0.422255 La\n0.250000 0.875630 0.217092 La\n0.750000 0.060964 0.308345 La\n0.750000 0.624370 0.717092 La\n0.250000 0.939036 0.691655 La\n0.250000 0.899970 0.963941 La\n0.750000 0.253433 0.171534 La\n0.250000 0.744989 0.563857 La\n0.750000 0.560964 0.191655 La\n0.250000 0.399970 0.536059 La\n0.750000 0.810473 0.637005 S\n0.750000 0.792985 0.897500 S\n0.250000 0.635775 0.263894 S\n0.750000 0.864225 0.763894 S\n0.750000 0.854354 0.504986 S\n0.250000 0.689527 0.137005 S\n0.750000 0.310473 0.862995 S\n0.250000 0.145646 0.495014 S\n0.250000 0.135775 0.236106 S\n0.750000 0.292985 0.602500 S\n0.750000 0.354354 0.995014 S\n0.750000 0.364225 0.736106 S\n0.250000 0.207015 0.102500 S\n0.250000 0.645646 0.004986 S\n0.250000 0.189527 0.362995 S\n0.250000 0.707015 0.397500 S\n0.750000 0.462014 0.362332 Br\n0.750000 0.962014 0.137668 Br\n0.250000 0.537986 0.637668 Br\n0.250000 0.037986 0.862332 Br\n0.250000 0.598120 0.514021 N\n0.250000 0.098120 0.985979 N\n0.750000 0.401880 0.485979 N\n0.250000 0.613441 0.762569 N\n0.750000 0.437042 0.125663 N\n0.750000 0.386559 0.237431 N\n0.250000 0.113441 0.737431 N\n0.250000 0.062958 0.625663 N\n0.750000 0.886559 0.262569 N\n0.750000 0.937042 0.374337 N\n0.250000 0.562958 0.874337 N\n0.750000 0.901880 0.014021 N\n",
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},
{
"id": "mp-542728",
"created_at": "2022-09-04T14:39:58.833981Z",
"structure_string": "Co21 B6 Mo2\n1.0\n0.000000 5.226290 5.226290\n5.226290 0.000000 5.226290\n5.226290 5.226290 0.000000\nCo B Mo\n21 6 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.617995 0.617995 0.146014 Co\n0.617995 0.146014 0.617995 Co\n0.146014 0.617995 0.617995 Co\n0.617995 0.617995 0.617995 Co\n0.382005 0.382005 0.853986 Co\n0.382005 0.853986 0.382005 Co\n0.853986 0.382005 0.382005 Co\n0.382005 0.382005 0.382005 Co\n0.000000 0.000000 0.338576 Co\n0.661424 0.000000 0.338576 Co\n0.000000 0.661424 0.338576 Co\n0.661424 0.338576 0.000000 Co\n0.000000 0.338576 0.000000 Co\n0.000000 0.338576 0.661424 Co\n0.338576 0.661424 0.000000 Co\n0.338576 0.000000 0.661424 Co\n0.338576 0.000000 0.000000 Co\n0.000000 0.000000 0.661424 Co\n0.000000 0.661424 0.000000 Co\n0.661424 0.000000 0.000000 Co\n0.725381 0.725381 0.274619 B\n0.274619 0.725381 0.274619 B\n0.725381 0.274619 0.274619 B\n0.274619 0.274619 0.725381 B\n0.725381 0.274619 0.725381 B\n0.274619 0.725381 0.725381 B\n0.750000 0.750000 0.750000 Mo\n0.250000 0.250000 0.250000 Mo\n",
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"volume": 285.50289026132833,
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"spacegroup": 225
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{
"id": "mp-1205247",
"created_at": "2022-09-04T14:39:58.842436Z",
"structure_string": "Mo24 S24 F96\n1.0\n0.000000 -8.745967 0.000000\n-11.593790 0.000000 0.000000\n0.000000 0.000000 -29.125810\nMo S F\n24 24 96\ndirect\n0.459281 0.100154 0.910594 Mo\n0.540719 0.899846 0.410594 Mo\n0.459281 0.399846 0.410594 Mo\n0.540719 0.600154 0.910594 Mo\n0.379687 0.239133 0.045201 Mo\n0.620313 0.760867 0.545201 Mo\n0.379687 0.260867 0.545201 Mo\n0.620313 0.739133 0.045201 Mo\n0.123367 0.509697 0.979001 Mo\n0.876633 0.490303 0.479001 Mo\n0.123367 0.990303 0.479001 Mo\n0.876633 0.009697 0.979001 Mo\n0.051847 0.920593 0.794605 Mo\n0.948153 0.079407 0.294605 Mo\n0.051847 0.579407 0.294605 Mo\n0.948153 0.420593 0.794605 Mo\n0.914001 0.052959 0.660597 Mo\n0.085999 0.947041 0.160597 Mo\n0.914001 0.447041 0.160597 Mo\n0.085999 0.552959 0.660597 Mo\n0.562988 0.267220 0.726241 Mo\n0.437012 0.732780 0.226241 Mo\n0.562988 0.232780 0.226241 Mo\n0.437012 0.767220 0.726241 Mo\n0.543881 0.005491 0.855303 S\n0.456119 0.994509 0.355303 S\n0.543881 0.494509 0.355303 S\n0.456119 0.505491 0.855303 S\n0.467928 0.084917 0.071164 S\n0.532072 0.915083 0.571164 S\n0.467928 0.415083 0.571164 S\n0.532072 0.584917 0.071164 S\n0.921965 0.431499 0.002314 S\n0.078035 0.568501 0.502314 S\n0.921965 0.068501 0.502314 S\n0.078035 0.931499 0.002314 S\n0.117386 0.824095 0.851947 S\n0.882614 0.175905 0.351947 S\n0.117386 0.675905 0.351947 S\n0.882614 0.324095 0.851947 S\n0.087981 0.962574 0.626937 S\n0.912019 0.037426 0.126937 S\n0.087981 0.537426 0.126937 S\n0.912019 0.462574 0.626937 S\n0.357421 0.184999 0.710567 S\n0.642579 0.815001 0.210567 S\n0.357421 0.315001 0.210567 S\n0.642579 0.684999 0.710567 S\n0.634183 0.092538 0.952619 F\n0.365817 0.907462 0.452619 F\n0.634183 0.407462 0.452619 F\n0.365817 0.592538 0.952619 F\n0.371379 0.983240 0.947351 F\n0.628621 0.016760 0.447351 F\n0.371379 0.516760 0.447351 F\n0.628621 0.483241 0.947351 F\n0.263438 0.141562 0.889941 F\n0.736562 0.858438 0.389941 F\n0.263438 0.358438 0.389941 F\n0.736562 0.641562 0.889941 F\n0.528475 0.251262 0.897911 F\n0.471525 0.748738 0.397911 F\n0.528475 0.248738 0.397911 F\n0.471525 0.751262 0.897911 F\n0.363262 0.203077 0.980130 F\n0.636738 0.796923 0.480130 F\n0.363262 0.296923 0.480130 F\n0.636738 0.703077 0.980130 F\n0.558122 0.321644 0.029928 F\n0.441878 0.678356 0.529928 F\n0.558122 0.178356 0.529928 F\n0.441878 0.821644 0.029928 F\n0.362955 0.329501 0.099077 F\n0.637045 0.670499 0.599077 F\n0.362955 0.170499 0.599077 F\n0.637045 0.829501 0.099077 F\n0.166280 0.212280 0.048042 F\n0.833720 0.787720 0.548042 F\n0.166280 0.287720 0.548042 F\n0.833720 0.712280 0.048042 F\n0.273897 0.418809 0.013187 F\n0.726103 0.581191 0.513187 F\n0.273897 0.081191 0.513187 F\n0.726103 0.918809 0.013187 F\n0.161241 0.624439 0.023681 F\n0.838759 0.375561 0.523681 F\n0.161241 0.875561 0.523681 F\n0.838759 0.124439 0.023681 F\n0.047252 0.624669 0.939582 F\n0.952748 0.375331 0.439582 F\n0.047252 0.875331 0.439582 F\n0.952748 0.124669 0.939582 F\n0.173032 0.417527 0.927690 F\n0.826968 0.582473 0.427690 F\n0.173032 0.082473 0.427690 F\n0.826968 0.917527 0.927690 F\n0.896616 0.828000 0.769034 F\n0.103384 0.172000 0.269034 F\n0.896616 0.672000 0.269034 F\n0.103384 0.328000 0.769034 F\n0.186253 0.856597 0.747384 F\n0.813747 0.143403 0.247384 F\n0.186253 0.643403 0.247384 F\n0.813747 0.356597 0.747384 F\n0.191793 0.044775 0.795083 F\n0.808207 0.955225 0.295083 F\n0.191793 0.455225 0.295083 F\n0.808207 0.544775 0.795083 F\n0.902814 0.019548 0.819610 F\n0.097186 0.980452 0.319610 F\n0.902814 0.480452 0.319610 F\n0.097186 0.519548 0.819610 F\n0.972746 0.029239 0.724369 F\n0.027254 0.970761 0.224369 F\n0.972746 0.470761 0.224369 F\n0.027254 0.529239 0.724369 F\n0.765511 0.936721 0.669206 F\n0.234489 0.063279 0.169206 F\n0.765511 0.563279 0.169206 F\n0.234489 0.436721 0.669206 F\n0.798384 0.109134 0.610664 F\n0.201616 0.890866 0.110664 F\n0.798384 0.390866 0.110664 F\n0.201616 0.609134 0.610664 F\n0.999687 0.201624 0.667135 F\n0.000313 0.798376 0.167135 F\n0.999687 0.298376 0.167135 F\n0.000313 0.701624 0.667135 F\n0.709171 0.155064 0.702833 F\n0.290829 0.844936 0.202833 F\n0.709171 0.344936 0.202833 F\n0.290829 0.655064 0.702833 F\n0.606171 0.208879 0.785467 F\n0.393829 0.791121 0.285467 F\n0.606171 0.291121 0.285467 F\n0.393829 0.708879 0.785467 F\n0.493117 0.405271 0.753202 F\n0.506883 0.594729 0.253202 F\n0.493117 0.094729 0.253202 F\n0.506883 0.905271 0.753202 F\n0.607355 0.352301 0.672244 F\n0.392645 0.647699 0.172244 F\n0.607355 0.147699 0.172244 F\n0.392645 0.852301 0.672244 F\n",
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{
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"structure_string": "Ta6 Fe16 Si7\n1.0\n0.000000 5.604143 5.604143\n5.604143 0.000000 5.604143\n5.604143 5.604143 0.000000\nTa Fe Si\n6 16 7\ndirect\n0.203593 0.796407 0.203593 Ta\n0.203593 0.796407 0.796407 Ta\n0.796407 0.203593 0.203593 Ta\n0.796407 0.796407 0.203593 Ta\n0.203593 0.203593 0.796407 Ta\n0.796407 0.203593 0.796407 Ta\n0.173241 0.173241 0.173241 Fe\n0.519722 0.826759 0.826759 Fe\n0.826759 0.519722 0.826759 Fe\n0.826759 0.826759 0.519722 Fe\n0.173241 0.480278 0.173241 Fe\n0.173241 0.173241 0.480278 Fe\n0.480278 0.173241 0.173241 Fe\n0.826759 0.826759 0.826759 Fe\n0.380251 0.380251 0.380251 Fe\n0.140754 0.619749 0.619749 Fe\n0.619749 0.140754 0.619749 Fe\n0.619749 0.619749 0.140754 Fe\n0.380251 0.859246 0.380251 Fe\n0.380251 0.380251 0.859246 Fe\n0.859246 0.380251 0.380251 Fe\n0.619749 0.619749 0.619749 Fe\n0.500000 0.500000 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n0.000000 0.500000 0.500000 Si\n0.500000 0.000000 0.500000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n",
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{
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