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"nsites": 12,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Cu",
"Hg",
"O"
],
"chemical_system": "Ba-Ca-Cu-Hg-O",
"density": 6.254832208971571,
"density_atomic": 0.06121389407130606,
"volume": 196.03392631779957,
"volume_molar": 9.837865816843813,
"formula_full": "Ba2 Ca1 Cu2 Hg1 O6",
"formula_reduced": "Ba2CaCu2HgO6",
"formula_anonymous": "ABC2D2E6",
"energy_above_hull": 0.9647990716666666,
"spacegroup": 123
}
]
}