• Formula : SiO2
  • Space Group : P2_1 (4)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 8.677798
    b = 5.053076
    c = 8.214685
    α = 90.0
    β = 90.0
    γ = 89.70327
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 64
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.694
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 154321

Band structure with spin-orbit coupling