• Formula : Ca2GeO4
  • Space Group : I4/mmm (139)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 3.7
    b = 3.7
    c = 11.88
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 7
    Total number of electrons per primitive cell = 48
  • Band gap = 3.1506 eV
    Direct Gap = 3.559 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal chemistry of dense M2 O4 polymorphs: High pressure Ca2 Ge O4 of K2 Ni F4 structure type,
    Journal of Solid State Chemistry 1, 557 (1970)

Band structure with spin-orbit coupling