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"volume_molar": 12.949586436774187,
"formula_full": "Li2 Be1 As2",
"formula_reduced": "Li2BeAs2",
"formula_anonymous": "AB2C2",
"energy": -15.837447,
"energy_per_atom": -3.1674894,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.837447,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003723,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.528000Z",
"spacegroup": 123
},
{
"id": "mp-864943",
"created_at": "2022-09-04T14:47:25.493568Z",
"structure_string": "Mn1 Be2 Ir1\n1.0\n0.000000 2.775818 2.775818\n2.775818 0.000000 2.775818\n2.775818 2.775818 0.000000\nMn Be Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.750000 0.750000 0.750000 Be\n0.250000 0.250000 0.250000 Be\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Ir"
],
"chemical_system": "Be-Ir-Mn",
"density": 10.294042032337542,
"density_atomic": 0.0935097794557892,
"volume": 42.77627455950929,
"volume_molar": 6.440118664644298,
"formula_full": "Mn1 Be2 Ir1",
"formula_reduced": "MnBe2Ir",
"formula_anonymous": "ABC2",
"energy": -27.29063742,
"energy_per_atom": -6.822659355,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.29063742,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0373666,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.797000Z",
"spacegroup": 225
}
]
}