• Formula : Si
  • Space Group : Cmce (64)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.0242
    b = 4.7961
    c = 4.776
    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 = 0.010 eV
    Metallicity = 0.416
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of the high-pressure phase silicon VI Locality: synthetic Sample: at P = 38.4 GPa Note: phase VI,
    Physical Review Letters 82, 1197 (1999)

Band structure with spin-orbit coupling