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"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -133.76286019,
"band_gap": 0.8664999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0038439,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.808000Z",
"spacegroup": 62
},
{
"id": "mp-998352",
"created_at": "2022-09-04T14:48:21.843840Z",
"structure_string": "Ba1 Hf1 S3\n1.0\n0.000596 -5.009600 0.003822\n-5.011652 0.000000 -0.000355\n0.000000 0.000000 -5.012407\nBa Hf S\n1 1 3\ndirect\n0.991372 0.997375 0.994050 Ba\n0.487502 0.498011 0.495087 Hf\n0.485634 0.000164 0.497343 S\n0.987287 0.504596 0.505140 S\n0.488205 0.499853 0.998376 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"S"
],
"chemical_system": "Ba-Hf-S",
"density": 5.436616236620325,
"density_atomic": 0.03973193529113634,
"volume": 125.84335405165709,
"volume_molar": 15.156927836191905,
"formula_full": "Ba1 Hf1 S3",
"formula_reduced": "BaHfS3",
"formula_anonymous": "ABC3",
"energy": -34.8454708,
"energy_per_atom": -6.96909416,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.3364708,
"band_gap": 0.8438999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.93e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:01.764000Z",
"spacegroup": 160
}
]
}