• Formula : ZnSiO3
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.787
    b = 9.161
    c = 5.296
    α = 90.0
    β = 111.42
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 136
  • Band gap = 3.6364 eV
    Direct Gap = 3.782 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structures of pyroxene-type Zn Si O3 and Zn Mg Si2 O6,
    Acta Crystallographica B (24,1968-38,1982) 31, 1041 (1975)

Band structure with spin-orbit coupling