• Formula : Cs2GeF6
  • Space Group : Fm-3m (225)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.99
    b = 8.99
    c = 8.99
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 64
  • Band gap = 6.5304 eV
    Direct Gap = 6.536 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 cesium fluogermanate,
    American Journal of Science, Serie 5(1,1921-1938) 13, 347 (1927)

Band structure with spin-orbit coupling