• Formula : SiF4
  • Space Group : I-43m (217)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 5.42
    b = 5.42
    c = 5.42
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 5
    Total number of electrons per primitive cell = 32
  • Band gap = 8.056 eV
    Direct Gap = 8.625 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 14122

Band structure with spin-orbit coupling