• Formula : SiO2
  • Space Group : P2 (3)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 4.1605
    b = 4.1294
    c = 7.4211
    α = 90.0
    β = 101.375
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 64
  • Band gap = 1.7784 eV
    Direct Gap = 1.964 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 75669

Band structure with spin-orbit coupling