• Formula : GeO2
  • Space Group : P4_2/mnm (136)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.334
    b = 4.334
    c = 2.8376
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 32
  • Band gap = 2.1978 eV
    Direct Gap = 2.198 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structural evolution of rutile-type and CaCl2-type germanium dioxide at high pressure Sample: rutile-type, P = 10.4 GPa,
    Physics and Chemistry of Minerals 27, 575 (2000)

Band structure with spin-orbit coupling