• Formula : ZnSiO3
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.4098
    b = 8.8327
    c = 4.98
    α = 90.0
    β = 103.906
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 136
  • Band gap = 3.765 eV
    Direct Gap = 3.845 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Displacive phase transitions in C-centred clinopyroxenes: spodumene, LiScSi2O6 and ZnSiO3 Sample: P = 5.304 GPa,
    Physics and Chemistry of Minerals 27, 719 (2000)

Band structure with spin-orbit coupling