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"structure_string": "Li2 La3 Nd1 Sb2 O12\n1.0\n5.614473 0.000700 -0.041853\n-0.015657 5.790295 -0.000422\n-0.006631 0.000254 7.976423\nLi La Nd Sb O\n2 3 1 2 12\ndirect\n0.502926 0.999391 0.497760 Li\n0.997613 0.497054 0.002012 Li\n0.512494 0.551436 0.749359 La\n0.988882 0.049080 0.749735 La\n0.487119 0.448802 0.251373 La\n0.015125 0.942111 0.247590 Nd\n0.998140 0.498954 0.498427 Sb\n0.501873 0.001012 0.001859 Sb\n0.305709 0.717554 0.053363 O\n0.807073 0.785374 0.549261 O\n0.789805 0.806684 0.955636 O\n0.284368 0.697539 0.451905 O\n0.212238 0.192678 0.050469 O\n0.409587 0.972042 0.758428 O\n0.602126 0.029789 0.243270 O\n0.091649 0.470512 0.741635 O\n0.186457 0.211618 0.446707 O\n0.907335 0.533446 0.255988 O\n0.708007 0.306924 0.545508 O\n0.691465 0.288002 0.949717 O\n",
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{
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"structure_string": "Rb4 Dy4 Br12\n1.0\n7.506654 0.000000 0.000000\n0.000000 8.101209 0.000000\n-0.000000 -0.000000 11.182648\nRb Dy Br\n4 4 12\ndirect\n0.022270 0.437077 0.250000 Rb\n0.977729 0.562923 0.750000 Rb\n0.522270 0.062923 0.750000 Rb\n0.477729 0.937078 0.250000 Rb\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 -0.000000 Dy\n0.000000 0.000000 0.500000 Dy\n0.500000 0.500000 0.500000 Dy\n0.447415 0.493428 0.750000 Br\n0.552584 0.506572 0.250000 Br\n0.804567 0.297112 0.527661 Br\n0.195433 0.702888 0.472340 Br\n0.304567 0.202888 0.472340 Br\n0.695433 0.797112 0.972340 Br\n0.695433 0.797112 0.527661 Br\n0.804567 0.297112 0.972340 Br\n0.052585 0.993428 0.750000 Br\n0.304567 0.202888 0.027661 Br\n0.195433 0.702888 0.027661 Br\n0.947415 0.006572 0.250000 Br\n",
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{
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"structure_string": "La3 Sm1 Fe4 O12\n1.0\n7.706400 -0.000000 0.000000\n0.000000 5.465287 0.016441\n-0.000000 0.003149 5.474011\nLa Sm Fe O\n3 1 4 12\ndirect\n-0.000000 0.003906 0.969560 La\n0.500000 0.505404 0.527683 La\n0.500000 0.994422 0.031128 La\n-0.000000 0.490771 0.458445 Sm\n0.248576 0.500803 0.998967 Fe\n0.751827 0.999675 0.501050 Fe\n0.751424 0.500803 0.998967 Fe\n0.248173 0.999675 0.501050 Fe\n-0.000000 0.921001 0.504933 O\n-0.000000 0.559380 0.016367 O\n0.209351 0.283156 0.712939 O\n0.785559 0.222091 0.226087 O\n0.718854 0.722406 0.282134 O\n0.790650 0.283156 0.712939 O\n0.281147 0.722406 0.282134 O\n0.717878 0.784383 0.780287 O\n0.500000 0.438671 0.992178 O\n0.214441 0.222091 0.226087 O\n0.282122 0.784383 0.780287 O\n0.500000 0.061428 0.496772 O\n",
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"structure_string": "Dy4 Si10 Rh6\n1.0\n7.667109 0.000264 2.650977\n-1.398609 7.538465 2.650977\n0.005803 0.006979 5.720199\nDy Si Rh\n4 10 6\ndirect\n0.866369 0.598707 0.762793 Dy\n0.401292 0.133631 0.737209 Dy\n0.133631 0.401292 0.237209 Dy\n0.598707 0.866368 0.262793 Dy\n0.224255 0.775744 0.250001 Si\n0.775745 0.224255 0.750001 Si\n0.489233 0.510766 0.250001 Si\n0.510766 0.489233 0.750001 Si\n0.788476 0.211523 0.250001 Si\n0.265504 0.057845 0.337723 Si\n0.942155 0.734495 0.162279 Si\n0.734495 0.942154 0.662279 Si\n0.057845 0.265504 0.837723 Si\n0.211523 0.788476 0.750001 Si\n0.002118 0.997881 0.750001 Rh\n0.258035 0.538119 0.624517 Rh\n0.461880 0.741964 0.875485 Rh\n0.741964 0.461880 0.375485 Rh\n0.538120 0.258035 0.124517 Rh\n0.997882 0.002118 0.250001 Rh\n",
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"structure_string": "Sr1 Mn7 O12\n1.0\n6.060915 -0.000000 -2.142857\n-3.030458 5.248907 -2.142857\n-0.000000 -0.000000 6.428571\nSr Mn O\n1 7 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 -0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 -0.000000 Mn\n-0.000000 0.500000 -0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.311233 0.820054 0.131286 O\n0.688768 0.179947 0.868714 O\n0.491180 0.311233 0.179946 O\n0.508821 0.688768 0.820053 O\n0.131286 0.311233 0.820053 O\n0.820054 0.131286 0.311232 O\n0.179947 0.491180 0.311232 O\n0.820054 0.508821 0.688767 O\n0.688768 0.820054 0.508820 O\n0.179947 0.868715 0.688767 O\n0.868715 0.688768 0.179946 O\n0.311233 0.179947 0.491179 O\n",
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"structure_string": "Sr4 Ho2 Ta2 O12\n1.0\n5.897419 0.000000 0.000000\n-0.000000 4.771094 3.331826\n-0.000000 0.019411 10.093761\nSr Ho Ta O\n4 2 2 12\ndirect\n0.463233 0.242085 0.749673 Sr\n0.536768 0.757914 0.250328 Sr\n0.963233 0.757914 0.750328 Sr\n0.036768 0.242085 0.249673 Sr\n0.000000 0.499999 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n0.000000 0.000000 0.000000 Ta\n0.500000 -0.000000 0.500000 Ta\n0.802240 0.233895 0.041263 O\n0.197760 0.766104 0.958738 O\n0.775759 0.849631 0.455348 O\n0.224241 0.150368 0.544653 O\n0.275759 0.150368 0.044653 O\n0.976442 0.683184 0.235667 O\n0.476442 0.316815 0.264333 O\n0.523558 0.683184 0.735667 O\n0.697761 0.233895 0.541263 O\n0.023558 0.316815 0.764333 O\n0.724241 0.849631 0.955348 O\n0.302240 0.766104 0.458738 O\n",
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"structure_string": "Na2 Ho2 Ti4 O12\n1.0\n5.291313 -0.000000 0.000000\n0.000000 5.514007 0.000000\n-0.000000 -0.000000 7.586207\nNa Ho Ti O\n2 2 4 12\ndirect\n0.494856 0.714372 0.500000 Na\n0.994855 0.285629 -0.000000 Na\n0.016600 0.177178 0.500000 Ho\n0.516600 0.822823 -0.000000 Ho\n0.511909 0.265309 0.752456 Ti\n0.011909 0.734692 0.252456 Ti\n0.511909 0.265309 0.247544 Ti\n0.011909 0.734692 0.747544 Ti\n0.602601 0.277365 0.500000 O\n0.919421 0.774161 0.500000 O\n0.282826 0.960434 0.708638 O\n0.188525 0.442430 0.303397 O\n0.688525 0.557571 0.196604 O\n0.282826 0.960434 0.291363 O\n0.688525 0.557571 0.803397 O\n0.782826 0.039567 0.208638 O\n0.102601 0.722635 -0.000000 O\n0.188525 0.442430 0.696604 O\n0.782826 0.039567 0.791363 O\n0.419421 0.225839 -0.000000 O\n",
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"structure_string": "Li5 Co4 Ni1 O10\n1.0\n2.817185 -0.000000 -0.338887\n-1.514340 4.621297 -0.709640\n0.075769 0.280809 12.509038\nLi Co Ni O\n5 4 1 10\ndirect\n0.403752 0.505858 0.301645 Li\n0.000000 0.500001 0.500000 Li\n0.596250 0.494143 0.698355 Li\n0.195979 0.496946 0.895011 Li\n0.804023 0.503055 0.104989 Li\n0.606043 0.009017 0.203067 Co\n0.201899 0.002697 0.401098 Co\n0.798104 0.997304 0.598901 Co\n0.393959 0.990984 0.796933 Co\n0.000000 0.000000 0.000000 Ni\n0.197080 0.237104 0.157055 O\n0.786598 0.223044 0.350149 O\n0.383160 0.218740 0.547579 O\n0.978282 0.211521 0.745041 O\n0.577001 0.212933 0.941067 O\n0.616842 0.781261 0.452421 O\n0.213405 0.776957 0.649851 O\n0.802923 0.762897 0.842945 O\n0.423001 0.787068 0.058933 O\n0.021720 0.788480 0.254959 O\n",
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"formula_reduced": "Li5Co4NiO10",
"formula_anonymous": "AB4C5D10",
"energy_above_hull": 2.5570085500000004,
"spacegroup": 12
}
]
}