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"formula_full": "Ta4 Fe2 B4",
"formula_reduced": "Ta2FeB2",
"formula_anonymous": "AB2C2",
"energy": -97.60843391,
"energy_per_atom": -9.760843391,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.60843391,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.5660709,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:23.592000Z",
"spacegroup": 127
},
{
"id": "mp-864764",
"created_at": "2022-09-04T14:44:25.043368Z",
"structure_string": "Ta4 Fe2 Os2\n1.0\n0.000156 3.144401 3.143233\n6.315957 -0.000006 0.000317\n-0.000162 3.145920 -3.144753\nTa Fe Os\n4 2 2\ndirect\n0.000008 0.999983 0.000006 Ta\n0.500008 0.499984 0.500006 Ta\n0.999994 0.500018 0.999993 Ta\n0.499994 0.000017 0.499993 Ta\n0.500001 0.250000 0.000002 Fe\n0.000001 0.750001 0.500000 Fe\n0.000001 0.250001 0.500000 Os\n0.500001 0.750001 0.000000 Os\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ta",
"Fe",
"Os"
],
"chemical_system": "Fe-Os-Ta",
"density": 16.164723070153947,
"density_atomic": 0.06404665757841854,
"volume": 124.90893830337396,
"volume_molar": 9.40274010806342,
"formula_full": "Ta4 Fe2 Os2",
"formula_reduced": "Ta2FeOs",
"formula_anonymous": "ABC2",
"energy": -89.01926886,
"energy_per_atom": -11.1274086075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.01926886,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.3353807,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.741000Z",
"spacegroup": 225
}
]
}