• Formula : Cs3GeF7
  • Space Group : P4/mbm (127)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.402
    b = 8.402
    c = 6.253
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 160
  • Band gap = 5.2136 eV
    Direct Gap = 5.214 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Cs3 Ge F7 - Ein Neues Fluorogermanat(IV),
    Journal of the Less-Common Metals 146, 137 (1989)

Band structure with spin-orbit coupling