• Formula : CdGeO3
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.204
    b = 5.3852
    c = 9.669
    α = 90.0
    β = 90.0
    γ = 102.23
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 136
  • Band gap = 1.7048 eV
    Direct Gap = 1.761 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The refinement of the crystal structure of Cd2 (Ge O4) and Cd2 (Ge2 O6),
    Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 22, 199 (1981)

Band structure with spin-orbit coupling