• Formula : Si
  • Space Group : Fm-3m (225)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.34
    b = 3.34
    c = 3.34
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 1
    Total number of electrons per primitive cell = 4
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.610
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    hcp-to-fcc transition in silicon at 78 GPa and studies to 100 GPa Locality: synthetic Sample: at P = 87 GPa Note: fcc structure stable above 78 GPa,
    Physical Review Letters 58, 775 (1987)

Band structure with spin-orbit coupling