• Formula : SbAsF8
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.92
    b = 8.15
    c = 5.51
    α = 90.0
    β = 95.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 132
  • Band gap = 4.5459 eV
    Direct Gap = 4.676 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Fluoride Crystal Structures. Part XV. Arsenic Trifluoride Antimony Pentafluoride,
    Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971) 1971, 942 (1971)

Band structure with spin-orbit coupling