• Formula : K2GeF6
  • Space Group : P-3m1 (164)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.62
    b = 5.62
    c = 4.65
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 64
  • Band gap = 6.653 eV
    Direct Gap = 6.680 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structures of Complex Fluorides. Potassium Hexafluogermanate and Ammonium Hexafluogermanate,
    Journal of the American Chemical Society 61, 2849 (1939)

Band structure with spin-orbit coupling