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"structure_string": "P16 S12 I8\n1.0\n6.619154 0.000000 0.000000\n0.000000 9.334018 0.000000\n0.000000 0.000000 16.379173\nP S I\n16 12 8\ndirect\n0.454910 0.491162 0.353800 P\n0.045090 0.991162 0.146200 P\n0.199335 0.873219 0.250000 P\n0.699335 0.626781 0.750000 P\n0.741199 0.750645 0.250000 P\n0.454910 0.491162 0.146200 P\n0.241199 0.749356 0.750000 P\n0.758800 0.250645 0.250000 P\n0.954910 0.008838 0.853800 P\n0.545089 0.508839 0.646200 P\n0.258801 0.249355 0.750000 P\n0.954910 0.008838 0.646200 P\n0.300665 0.373219 0.250000 P\n0.800664 0.126781 0.750000 P\n0.045090 0.991162 0.353800 P\n0.545089 0.508839 0.853800 P\n0.250764 0.606573 0.646864 S\n0.249236 0.106572 0.646864 S\n0.456729 0.175098 0.250000 S\n0.956729 0.324902 0.750000 S\n0.749235 0.393428 0.353136 S\n0.043270 0.675098 0.250000 S\n0.749235 0.393428 0.146864 S\n0.250764 0.606573 0.853136 S\n0.543270 0.824902 0.750000 S\n0.249236 0.106572 0.853136 S\n0.750764 0.893428 0.146864 S\n0.750764 0.893428 0.353136 S\n0.230375 0.851732 0.462583 I\n0.730375 0.648269 0.962583 I\n0.269624 0.351732 0.037417 I\n0.269624 0.351732 0.462583 I\n0.769624 0.148269 0.962583 I\n0.769624 0.148269 0.537417 I\n0.230375 0.851732 0.037417 I\n0.730375 0.648269 0.537417 I\n",
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"structure_string": "Ba8 Cd4 Se12\n1.0\n4.528968 0.000000 0.000000\n0.000000 9.320019 0.000000\n0.000000 0.000000 18.039943\nBa Cd Se\n8 4 12\ndirect\n0.750000 0.575219 0.285460 Ba\n0.750000 0.075219 0.214540 Ba\n0.250000 0.924781 0.785460 Ba\n0.750000 0.740821 0.539699 Ba\n0.250000 0.759179 0.039699 Ba\n0.750000 0.240821 0.960301 Ba\n0.250000 0.259179 0.460301 Ba\n0.250000 0.424781 0.714540 Ba\n0.250000 0.874490 0.366451 Cd\n0.250000 0.374490 0.133549 Cd\n0.750000 0.125510 0.633549 Cd\n0.750000 0.625510 0.866451 Cd\n0.250000 0.485143 0.904213 Se\n0.750000 0.189676 0.777902 Se\n0.250000 0.810324 0.222098 Se\n0.750000 0.689676 0.722098 Se\n0.250000 0.115232 0.071969 Se\n0.750000 0.384768 0.571968 Se\n0.250000 0.615232 0.428031 Se\n0.750000 0.014857 0.404213 Se\n0.250000 0.985143 0.595787 Se\n0.750000 0.514857 0.095787 Se\n0.250000 0.310324 0.277902 Se\n0.750000 0.884769 0.928031 Se\n",
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"nsites": 40,
"nelements": 3,
"elements": [
"Li",
"H",
"Rh"
],
"chemical_system": "H-Li-Rh",
"density": 2.5576383501783946,
"density_atomic": 0.118684822674424,
"volume": 337.0270865191241,
"volume_molar": 5.074061387377159,
"formula_full": "Li12 H24 Rh4",
"formula_reduced": "Li3H6Rh",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.4010983,
"spacegroup": 62
}
]
}