• Formula : GeF2
  • Space Group : P2_12_12_1 (19)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 4.682
    b = 5.158
    c = 8.312
    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 = 4.0428 eV
    Direct Gap = 4.319 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of germanium difluoride,
    Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971) 1966, 30 (1966)

Band structure with spin-orbit coupling