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{
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{
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"volume": 227.9974248900566,
"volume_molar": 5.720969106689369,
"formula_full": "Li4 Cu4 B4 O12",
"formula_reduced": "LiCuBO3",
"formula_anonymous": "ABCD3",
"energy": -159.33049223,
"energy_per_atom": -6.638770509583334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -151.08649223,
"band_gap": 0.032,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9957596,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.194000Z",
"spacegroup": 9
},
{
"id": "mp-1207284",
"created_at": "2022-09-04T14:42:17.110083Z",
"structure_string": "Ag1 Bi3 Se6\n1.0\n5.316329 -9.260690 0.000000\n5.316329 9.260690 0.000000\n0.000000 0.000000 52.796675\nAg Bi Se\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Bi\n0.500000 0.000000 0.000000 Bi\n0.000000 0.500000 0.000000 Bi\n0.000000 0.000000 0.231032 Se\n0.000000 0.000000 0.768968 Se\n0.242991 0.993097 0.000000 Se\n0.757009 0.006903 0.000000 Se\n0.993097 0.242991 0.000000 Se\n0.006903 0.757009 0.000000 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"Se"
],
"chemical_system": "Ag-Bi-Se",
"density": 0.38603699595195,
"density_atomic": 0.0019235710659177572,
"volume": 5198.6641810027895,
"volume_molar": 313.07087461968916,
"formula_full": "Ag1 Bi3 Se6",
"formula_reduced": "Ag(BiSe2)3",
"formula_anonymous": "AB3C6",
"energy": -25.65101101,
"energy_per_atom": -2.565101101,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -22.81901101,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 3.3123279,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.780000Z",
"spacegroup": 65
}
]
}