• Formula : BiF5
  • Space Group : I4/m (87)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 6.581
    b = 6.581
    c = 4.229
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 50
  • Band gap = 3.1288 eV
    Direct Gap = 3.527 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 25023

Band structure with spin-orbit coupling