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{
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{
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"structure_string": "C6 N2\n1.0\n-1.215427 -2.105251 0.000000\n-1.215427 2.105251 -0.000000\n0.000000 -0.000000 -12.834041\nC N\n6 2\ndirect\n0.006204 0.993799 0.750000 C\n0.993799 0.006204 0.250000 C\n0.666663 0.333340 0.000137 C\n0.333340 0.666663 0.999863 C\n0.333340 0.666663 0.500137 C\n0.666663 0.333340 0.499863 C\n0.672862 0.327141 0.750000 N\n0.327141 0.672862 0.250000 N\n",
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{
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"structure_string": "Cd1 H10 C7 O4\n1.0\n4.105906 0.049216 0.455266\n1.047223 4.051418 0.743044\n0.009757 0.008135 10.890858\nCd H C O\n1 10 7 4\ndirect\n0.759003 0.206795 0.173106 Cd\n0.048885 0.390749 0.616190 H\n0.887023 0.021510 0.719348 H\n0.892716 0.639080 0.812044 H\n0.508975 0.434743 0.752280 H\n0.502419 0.816246 0.657328 H\n0.943751 0.148617 0.911998 H\n0.379181 0.018995 0.863899 H\n0.873687 0.800257 0.449552 H\n0.128224 0.032593 0.485812 H\n0.465946 0.328859 0.550524 H\n0.347632 0.727556 0.348301 C\n0.133433 0.783094 0.469946 C\n0.248296 0.516688 0.583277 C\n0.347649 0.642927 0.693576 C\n0.049675 0.810121 0.776424 C\n0.147348 0.937651 0.888234 C\n0.201873 0.672499 0.002248 C\n0.974242 0.693566 0.093859 O\n0.291597 0.964744 0.254731 O\n0.574185 0.458732 0.344419 O\n0.464687 0.431502 0.000932 O\n",
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{
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"structure_string": "Li6 Mn2 Co2 O10\n1.0\n4.655250 -0.008768 1.599535\n1.528385 4.702429 0.564065\n0.027954 -0.061514 7.495676\nLi Mn Co O\n6 2 2 10\ndirect\n-0.000001 0.500001 0.500001 Li\n0.596267 0.499977 0.307413 Li\n0.199885 0.499987 0.100218 Li\n0.800113 0.500014 0.899784 Li\n0.403731 0.500023 0.692590 Li\n0.500000 0.000000 0.500001 Li\n0.900299 0.000000 0.699418 Mn\n0.099700 0.000000 0.300584 Mn\n0.300483 -0.000001 0.899039 Co\n0.699516 0.000001 0.100962 Co\n0.140482 0.225365 0.712661 O\n0.646923 0.774610 0.712621 O\n0.221022 0.769048 0.499965 O\n0.859516 0.774636 0.287341 O\n0.443069 0.779902 0.101285 O\n0.044409 0.779898 0.898648 O\n0.353075 0.225390 0.287381 O\n0.955589 0.220103 0.101355 O\n0.556929 0.220099 0.898718 O\n0.778976 0.230953 0.500037 O\n",
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"chemical_system": "Co-Li-Mn-O",
"density": 4.3478940264427,
"density_atomic": 0.12195947000841582,
"volume": 163.9889054832716,
"volume_molar": 4.937821359492987,
"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 2.395329564137931,
"spacegroup": 12
}
]
}