• Formula : SiO2
  • Space Group : Fd-3m (227)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.166
    b = 7.166
    c = 7.166
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 32
  • Band gap = 5.6616 eV
    Direct Gap = 5.663 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    High-temperature single-crystal study of the cristobalite inversion Sample: T = 221 C Locality: Ellora Caves, Hyderabad State, India,
    Zeitschrift fur Kristallographie 138, 274 (1973)

Band structure with spin-orbit coupling