• Formula : BNF4
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.06
    b = 5.64
    c = 7.23
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 144
  • Band gap = 0.0 eV
    Direct Gap = 0.005 eV
    Metallicity = 0.482
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structures of rubidium and ammonium fluoborates _cod_database_code 1011135,
    Journal of the American Chemical Society 57, 1985 (1935)

Band structure with spin-orbit coupling