• Formula : SiF4
  • Space Group : Pn-3m (224)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.41
    b = 5.41
    c = 5.41
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 64
  • Band gap = 3.6397 eV
    Direct Gap = 3.760 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Struttura del tetrafluoruro de Silicio,
    Gazzetta Chimica Italiana 60, 911 (1930)

Band structure with spin-orbit coupling