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"created_at": "2022-09-04T14:37:59.564692Z",
"updated_at": "2022-09-04T14:37:59.564711Z",
"structure_string": "Ba6 N2\n1.0\n3.800257 -6.582238 0.000000\n3.800257 6.582238 0.000000\n-0.000000 -0.000000 7.047093\nBa N\n6 2\ndirect\n0.000000 0.723818 0.750000 Ba\n0.000000 0.276182 0.250000 Ba\n0.723819 0.723819 0.250000 Ba\n0.723818 0.000000 0.750000 Ba\n0.276182 0.276182 0.750000 Ba\n0.276182 0.000000 0.250000 Ba\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"N"
],
"chemical_system": "Ba-N",
"density": 4.012819312399506,
"density_atomic": 0.022691512221660305,
"volume": 352.5547315600922,
"volume_molar": 26.539177738236123,
"formula_full": "Ba6 N2",
"formula_reduced": "Ba3N",
"formula_anonymous": "AB3",
"energy_above_hull": 1.00341779,
"spacegroup": 193
}
]
}