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"formula_full": "Zr10 Ga6",
"formula_reduced": "Zr5Ga3",
"formula_anonymous": "A3B5",
"energy": -111.73801447,
"energy_per_atom": -6.983625904375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.73801447,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0582549,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:01.931000Z",
"spacegroup": 193
},
{
"id": "mp-30685",
"created_at": "2022-09-04T14:39:28.741899Z",
"structure_string": "Zr1 Ga3\n1.0\n-1.961382 1.961382 4.590821\n1.961382 -1.961382 4.590821\n1.961382 1.961382 -4.590821\nZr Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.750000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.750000 0.250000 0.500000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Ga"
],
"chemical_system": "Ga-Zr",
"density": 7.060967035497371,
"density_atomic": 0.05662200837460238,
"volume": 70.64390887614978,
"volume_molar": 10.635689077219686,
"formula_full": "Zr1 Ga3",
"formula_reduced": "ZrGa3",
"formula_anonymous": "AB3",
"energy": -19.55663758,
"energy_per_atom": -4.889159395,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.55663758,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028777,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.244000Z",
"spacegroup": 139
}
]
}