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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.49966683,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9617325,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.136000Z",
"spacegroup": 162
},
{
"id": "mp-1219546",
"created_at": "2022-09-04T14:41:23.303754Z",
"structure_string": "Re4 Se4 S4\n1.0\n1.723516 -5.390432 3.225410\n-7.062488 -0.135562 0.258303\n0.073575 0.057038 -6.726491\nRe Se S\n4 4 4\ndirect\n0.752952 0.490755 0.315377 Re\n0.247048 0.509245 0.684623 Re\n0.295386 0.498191 0.285936 Re\n0.704614 0.501809 0.714064 Re\n0.483499 0.218602 0.376969 Se\n0.516501 0.781398 0.623031 Se\n0.500465 0.719701 0.113890 Se\n0.499535 0.280299 0.886110 Se\n0.973604 0.668917 0.134456 S\n0.026396 0.331083 0.865544 S\n0.995175 0.268214 0.343668 S\n0.004825 0.731786 0.656332 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Re",
"Se",
"S"
],
"chemical_system": "Re-S-Se",
"density": 7.704337868958245,
"density_atomic": 0.04682867974393605,
"volume": 256.2532205822844,
"volume_molar": 12.859941371248716,
"formula_full": "Re4 Se4 S4",
"formula_reduced": "ReSeS",
"formula_anonymous": "ABC",
"energy": -89.85643346,
"energy_per_atom": -7.488036121666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.95643346,
"band_gap": 1.3533999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.1e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.428000Z",
"spacegroup": 2
}
]
}