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{
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{
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{
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{
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{
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"id": "mp-998965",
"created_at": "2022-09-04T14:44:13.251627Z",
"structure_string": "Ti1 In1 Fe2\n1.0\n3.042755 3.042755 0.000000\n3.042755 0.000000 -3.042755\n0.000000 3.042755 -3.042755\nTi In Fe\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"In",
"Fe"
],
"chemical_system": "Fe-In-Ti",
"density": 8.086538994774328,
"density_atomic": 0.0709952088996286,
"volume": 56.341830131877046,
"volume_molar": 8.482460793254322,
"formula_full": "Ti1 In1 Fe2",
"formula_reduced": "TiInFe2",
"formula_anonymous": "ABC2",
"energy": -27.7456891,
"energy_per_atom": -6.936422275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.7456891,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9719777,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.205000Z",
"spacegroup": 225
}
]
}