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{
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{
"id": "mp-1246574",
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{
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{
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{
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"structure_string": "Ba6 Yb6 Al13 Si11 N29 O13\n1.0\n6.324676 0.026236 0.019115\n-3.140259 5.369746 0.024639\n-0.044644 -0.136071 30.876813\nBa Yb Al Si N O\n6 6 13 11 29 13\ndirect\n0.344801 0.645730 0.039547 Ba\n0.318450 0.657901 0.713212 Ba\n0.329168 0.650310 0.393154 Ba\n0.663363 0.350394 0.547917 Ba\n0.673501 0.372922 0.878006 Ba\n0.693168 0.323783 0.217353 Ba\n0.386415 0.636235 0.272428 Yb\n0.392984 0.760226 0.924197 Yb\n0.339525 0.678062 0.601368 Yb\n0.686911 0.325422 0.105424 Yb\n0.662648 0.329751 0.439393 Yb\n0.663177 0.337940 0.767636 Yb\n0.138841 0.814188 0.809952 Al\n0.132119 0.799987 0.484792 Al\n0.004040 0.994246 0.067654 Al\n0.185399 0.325437 0.481647 Al\n0.322734 0.203507 0.644830 Al\n0.334328 0.168838 0.316542 Al\n0.339134 0.183931 0.975809 Al\n0.849386 0.667681 0.317326 Al\n0.856625 0.681423 0.645148 Al\n0.854549 0.685864 0.974995 Al\n0.824977 0.134014 0.314705 Al\n0.795701 0.135249 0.645044 Al\n0.829972 0.160422 0.978364 Al\n0.161689 0.797227 0.147071 Si\n0.036837 0.021404 0.231251 Si\n0.986858 0.983416 0.402859 Si\n0.978619 0.997445 0.564801 Si\n0.976860 0.997135 0.732453 Si\n0.990631 0.012862 0.892902 Si\n0.185755 0.348230 0.809042 Si\n0.219696 0.338541 0.147311 Si\n0.638391 0.873170 0.806711 Si\n0.657059 0.868347 0.477929 Si\n0.630879 0.835075 0.141282 Si\n0.048045 0.010253 0.173483 N\n0.252792 0.056650 0.919121 N\n0.285366 0.219131 0.259002 N\n0.236236 0.245273 0.586677 N\n0.530727 0.533827 0.654328 N\n0.519379 0.522941 0.971260 N\n0.529846 0.535540 0.157567 N\n0.499624 0.552952 0.816042 N\n0.516688 0.552670 0.481661 N\n0.746360 0.992290 0.423294 N\n0.728739 0.960618 0.092124 N\n0.728169 0.987051 0.754295 N\n0.464842 0.970405 0.158497 N\n0.464520 0.984886 0.489025 N\n0.465116 0.999174 0.821665 N\n0.023733 0.776239 0.919009 N\n0.821920 0.752941 0.259076 N\n0.009817 0.763138 0.588462 N\n0.046854 0.479423 0.157100 N\n0.008607 0.475241 0.815026 N\n0.997181 0.466716 0.486841 N\n0.807672 0.086751 0.919820 N\n0.771271 0.983680 0.257559 N\n0.745842 0.017220 0.588098 N\n0.992119 0.016189 0.834783 N\n0.016672 0.014297 0.006474 N\n0.006477 0.996839 0.343515 N\n0.972351 0.985317 0.505404 N\n0.002100 0.015746 0.675614 N\n0.055347 0.765398 0.095722 O\n0.989388 0.730898 0.417565 O\n0.007349 0.767869 0.753306 O\n0.982695 0.470757 0.312270 O\n0.962618 0.462279 0.655673 O\n0.953353 0.476673 0.994583 O\n0.249012 0.261455 0.095690 O\n0.241443 0.217314 0.422563 O\n0.220575 0.242771 0.757745 O\n0.502679 0.010092 0.324524 O\n0.472515 0.024738 0.655188 O\n0.506514 0.027985 0.990437 O\n0.532259 0.492056 0.331052 O\n",
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{
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{
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{
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"formula_full": "Nb6 Cl12 O16",
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{
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"structure_string": "Ba2 Pd4 O8\n1.0\n-3.188538 3.188538 5.228453\n3.188538 -3.188538 5.228453\n3.188538 3.188538 -5.228453\nBa Pd O\n2 4 8\ndirect\n0.750000 0.250000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.875000 0.625000 0.250000 Pd\n0.375000 0.125000 0.750000 Pd\n0.375000 0.625000 0.250000 Pd\n0.375000 0.625000 0.750000 Pd\n0.355542 0.443527 0.385185 O\n0.193527 0.308342 0.587986 O\n0.720356 0.605542 0.412014 O\n0.691658 0.279644 0.885185 O\n0.058342 0.970356 0.614815 O\n0.029644 0.644458 0.087986 O\n0.556473 0.941658 0.912014 O\n0.394458 0.806473 0.114815 O\n",
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}