• Formula : SbOF
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.873
    b = 4.099
    c = 5.483
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 72
  • Band gap = 0.0 eV
    Direct Gap = 3.503 eV
    Metallicity = 1.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of L-Sb O F,
    Journal of Solid State Chemistry 6, 191 (1973)

Band structure with spin-orbit coupling