• Formula : Na2ZnGeO4
  • Space Group : Pc (7)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 7.1535
    b = 5.5819
    c = 5.3279
    α = 90.0
    β = 89.934
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 116
  • Band gap = 2.8509 eV
    Direct Gap = 3.032 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Disodium zinc germanium tetraoxide,
    Acta Crystallographica Section C 55, IUC9900099 (1999)

Band structure with spin-orbit coupling