• Formula : SiO2
  • Space Group : P3_1 (144)
    Centrosymmetric : False
    Dimensionality : Unknown
  • Structure parameters
    a = 4.921
    b = 4.921
    c = 5.416
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 48
  • Band gap = 5.9943 eV
    Direct Gap = 6.284 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 153453

Band structure with spin-orbit coupling