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"id": "mp-1103012",
"created_at": "2022-09-04T14:44:43.738226Z",
"structure_string": "Ta8 Co2 P2\n1.0\n6.133314 0.000000 0.000000\n0.000000 6.133314 0.000000\n0.000000 0.000000 5.011085\nTa Co P\n8 2 2\ndirect\n0.667286 0.159126 0.500000 Ta\n0.332714 0.840874 0.500000 Ta\n0.840874 0.667286 0.500000 Ta\n0.159126 0.332714 0.500000 Ta\n0.332714 0.159126 0.000000 Ta\n0.667286 0.840874 0.000000 Ta\n0.159126 0.667286 0.000000 Ta\n0.840874 0.332714 0.000000 Ta\n0.000000 0.000000 0.250000 Co\n0.000000 0.000000 0.750000 Co\n0.500000 0.500000 0.250000 P\n0.500000 0.500000 0.750000 P\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"Co",
"P"
],
"chemical_system": "Co-P-Ta",
"density": 14.335750309871473,
"density_atomic": 0.063658892380668,
"volume": 188.50469355078147,
"volume_molar": 9.460014987362252,
"formula_full": "Ta8 Co2 P2",
"formula_reduced": "Ta4CoP",
"formula_anonymous": "ABC4",
"energy": -125.44515393,
"energy_per_atom": -10.4537628275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -125.44515393,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0122722,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:40.385000Z",
"spacegroup": 124
}
]
}