• Formula : Na2ZnSiO4
  • Space Group : Pc (7)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 7.02
    b = 5.44
    c = 5.24
    α = 90.0
    β = 90.1
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 116
  • Band gap = 3.1876 eV
    Direct Gap = 3.392 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structures of Na2 Zn Si O4, Na2 Zn Ge O4 and Na2 Mg Ge O4,
    Journal of Solid State Chemistry 1, 1 (1969)

Band structure with spin-orbit coupling