• Formula : Zn2SiO4
  • Space Group : I-42d (122)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 7.0069
    b = 7.0069
    c = 6.4637
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 104
  • Band gap = 2.8884 eV
    Direct Gap = 2.888 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of Zn2SiO4-II, a high-pressure phase of willemite,
    Acta Crystallographica, Section B 27, 1868 (1971)

Band structure with spin-orbit coupling