• Formula : Bi7O5F11
  • Space Group : C2 (5)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 13.5238
    b = 5.5285
    c = 9.1886
    α = 90.0
    β = 96.171
    γ = 90.0
  • Number of atoms per primitive cell = 23
    Total number of electrons per primitive cell = 212
  • Band gap = 3.0383 eV
    Direct Gap = 3.039 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 167074

Band structure with spin-orbit coupling