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{
"id": "mp-1188046",
"created_at": "2022-09-04T14:41:46.187311Z",
"structure_string": "Zr1 Pa1 Tc2\n1.0\n0.000000 3.373219 3.373219\n3.373219 0.000000 3.373219\n3.373219 3.373219 0.000000\nZr Pa Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Pa\n0.750000 0.750000 0.750000 Tc\n0.250000 0.250000 0.250000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Pa",
"Tc"
],
"chemical_system": "Pa-Tc-Zr",
"density": 11.210708967566022,
"density_atomic": 0.05210703745418821,
"volume": 76.76506275216174,
"volume_molar": 11.557250333593776,
"formula_full": "Zr1 Pa1 Tc2",
"formula_reduced": "ZrPaTc2",
"formula_anonymous": "ABC2",
"energy": -40.04905626,
"energy_per_atom": -10.012264065,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.04905626,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00351,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.105000Z",
"spacegroup": 225
}
]
}