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},
{
"id": "mp-1097397",
"created_at": "2022-09-04T14:48:18.956392Z",
"structure_string": "Ba2 Cu1 Pd1\n1.0\n-6.023690 6.387618 9.052729\n6.023690 -6.387618 9.052729\n6.023690 6.387618 -9.052729\nBa Cu Pd\n2 1 1\ndirect\n0.000000 0.262964 0.262964 Ba\n0.000000 0.737036 0.737036 Ba\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cu",
"Pd"
],
"chemical_system": "Ba-Cu-Pd",
"density": 0.5299037968518848,
"density_atomic": 0.0028709057217428734,
"volume": 1393.2885255360022,
"volume_molar": 209.7644905017665,
"formula_full": "Ba2 Cu1 Pd1",
"formula_reduced": "Ba2CuPd",
"formula_anonymous": "ABC2",
"energy": -8.89686258,
"energy_per_atom": -2.224215645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.89686258,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.011433,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:29.186000Z",
"spacegroup": 71
}
]
}