• Formula : CdGeO3
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.2114
    b = 5.2608
    c = 7.4263
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 136
  • Band gap = 1.2811 eV
    Direct Gap = 1.281 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    CdGeO3-phase transformations at high pressure and temperature and structural refinement of the perovskite polymorph,
    Physics and Chemistry of Minerals 16, 634 (1989)

Band structure with spin-orbit coupling