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"density_atomic": 0.04311967250655056,
"volume": 185.53016604624426,
"volume_molar": 13.966109689458197,
"formula_full": "Ba2 Ag2 Se2 F2",
"formula_reduced": "BaAgSeF",
"formula_anonymous": "ABCD",
"energy": -38.447862400000005,
"energy_per_atom": -4.805982800000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.5798624,
"band_gap": 1.2693,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.69e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:19.614000Z",
"spacegroup": 129
},
{
"id": "mp-16742",
"created_at": "2022-09-04T14:41:49.844512Z",
"structure_string": "Ba2 Ag2 Te2 F2\n1.0\n4.583373 0.000000 0.000000\n0.000000 4.583373 0.000000\n0.000000 0.000000 9.834370\nBa Ag Te F\n2 2 2 2\ndirect\n0.500000 0.000000 0.147971 Ba\n0.000000 0.500000 0.852029 Ba\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.500000 Ag\n0.000000 0.500000 0.316611 Te\n0.500000 0.000000 0.683389 Te\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ba",
"Ag",
"Te",
"F"
],
"chemical_system": "Ag-Ba-F-Te",
"density": 6.298244067181046,
"density_atomic": 0.03872336048033423,
"volume": 206.5936401377877,
"volume_molar": 15.55169976288179,
"formula_full": "Ba2 Ag2 Te2 F2",
"formula_reduced": "BaAgTeF",
"formula_anonymous": "ABCD",
"energy": -37.1051524,
"energy_per_atom": -4.63814405,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.3371524,
"band_gap": 1.5109999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.003588,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.721000Z",
"spacegroup": 129
}
]
}