• Formula : SiO2
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.05
    b = 12.2907
    c = 7.1386
    α = 90.0
    β = 120.587
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 128
  • Band gap = 6.0378 eV
    Direct Gap = 6.278 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Compression mechanisms of coesite Sample: X4P4, P = 2.84 GPa,
    Physics and Chemistry of Minerals 30, 167 (2003)

Band structure with spin-orbit coupling