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{
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{
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{
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"id": "mp-1224813",
"created_at": "2022-09-04T14:39:31.910955Z",
"structure_string": "Ga1 Ni3 As1\n1.0\n-1.977169 -3.424382 0.000000\n-1.977169 3.424382 0.000000\n0.000000 0.000000 -4.881622\nGa Ni As\n1 3 1\ndirect\n0.333335 0.666665 0.750000 Ga\n0.000001 0.999999 0.494753 Ni\n0.000001 0.999999 0.005247 Ni\n0.666678 0.333322 0.750000 Ni\n0.666686 0.333314 0.250000 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ga",
"Ni",
"As"
],
"chemical_system": "As-Ga-Ni",
"density": 8.056779893859005,
"density_atomic": 0.07563971138172655,
"volume": 66.10284344908179,
"volume_molar": 7.961612557732288,
"formula_full": "Ga1 Ni3 As1",
"formula_reduced": "GaNi3As",
"formula_anonymous": "ABC3",
"energy": -26.41050509,
"energy_per_atom": -5.2821010180000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.41050509,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010224,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.043000Z",
"spacegroup": 187
}
]
}