• Formula : SiO2
  • Space Group : P1 (1)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 3.1995
    b = 9.34791
    c = 9.5113
    α = 88.49825
    β = 88.33954
    γ = 89.6815
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 128
  • Band gap = 0.0 eV
    Direct Gap = 0.030 eV
    Metallicity = 0.780
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Chemical evaluation of hypothetical uninodal zeolites,
    Journal of the American Chemical Society 126, 9769 (2004)

Band structure with spin-orbit coupling