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"id": "mp-1218022",
"created_at": "2022-09-04T14:41:33.073536Z",
"structure_string": "Ta4 Cr4 Co4\n1.0\n2.408596 -4.102570 0.000000\n2.408596 4.102570 0.000000\n0.000000 0.000000 8.002144\nTa Cr Co\n4 4 4\ndirect\n0.669105 0.330895 0.316373 Ta\n0.335580 0.664420 0.189362 Ta\n0.335580 0.664420 0.810638 Ta\n0.669105 0.330895 0.683627 Ta\n0.169667 0.830333 0.500000 Cr\n0.342442 0.170627 0.000000 Cr\n0.829373 0.657558 0.000000 Cr\n0.827655 0.172345 0.000000 Cr\n0.999414 0.000586 0.255583 Co\n0.999414 0.000586 0.744417 Co\n0.658121 0.835264 0.500000 Co\n0.164736 0.341879 0.500000 Co\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"Cr",
"Co"
],
"chemical_system": "Co-Cr-Ta",
"density": 12.258939572178544,
"density_atomic": 0.0758795815714323,
"volume": 158.14531065519012,
"volume_molar": 7.936444344162355,
"formula_full": "Ta4 Cr4 Co4",
"formula_reduced": "TaCrCo",
"formula_anonymous": "ABC",
"energy": -116.58445439,
"energy_per_atom": -9.715371199166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -116.58445439,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000144,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.973000Z",
"spacegroup": 38
}
]
}