• Formula : GeO2
  • Space Group : Pbcn (60)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.5792
    b = 4.0956
    c = 5.088
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 64
  • Band gap = 0.0 eV
    Direct Gap = 0.023 eV
    Metallicity = 0.046
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ab initio studies of high-pressure transformations in Ge O2,
    Physical Review, Serie 3. B - Condensed Matter (18,1978-) 63, 1341061 (2001)

Band structure with spin-orbit coupling