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"chemical_system": "B-S-Tb",
"density": 4.559437273518319,
"density_atomic": 0.051625303028406934,
"volume": 387.4069269674787,
"volume_molar": 11.665095227985983,
"formula_full": "Tb4 B4 S12",
"formula_reduced": "TbBS3",
"formula_anonymous": "ABC3",
"energy": -125.26150388000002,
"energy_per_atom": -6.263075194000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -119.22550388000002,
"band_gap": 2.3202,
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"is_magnetic": false,
"total_magnetization": 0.0008442,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:59.664000Z",
"spacegroup": 33
},
{
"id": "mp-1077351",
"created_at": "2022-09-04T14:45:09.736256Z",
"structure_string": "Zr2 Ga2 Cu2\n1.0\n2.122882 -3.676940 0.000000\n2.122882 3.676940 0.000000\n0.000000 0.000000 6.436656\nZr Ga Cu\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.333333 0.666667 0.750000 Ga\n0.666667 0.333333 0.250000 Ga\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-Zr",
"density": 7.419577985382778,
"density_atomic": 0.05971020435810476,
"volume": 100.48533687836208,
"volume_molar": 10.085614049958592,
"formula_full": "Zr2 Ga2 Cu2",
"formula_reduced": "ZrGaCu",
"formula_anonymous": "ABC",
"energy": -33.97366818,
"energy_per_atom": -5.6622780299999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.97366818,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001318,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:46.992000Z",
"spacegroup": 194
}
]
}