• Formula : GeCl4
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.69
    b = 6.451
    c = 9.774
    α = 90.0
    β = 103.075
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 128
  • Band gap = 4.342 eV
    Direct Gap = 4.405 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Germanium(IV) chloride at 193K,
    Acta Crystallographica Section C 58, i101 (2002)

Band structure with spin-orbit coupling