• Formula : Si
  • Space Group : Ia3 (206)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.636
    b = 6.636
    c = 6.636
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 32
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.092
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structures of new forms of silicon and germanium Locality: synthetic,
    Acta Crystallographica 17, 752 (1964)

Band structure with spin-orbit coupling