• Formula : Si
  • Space Group : Imma (74)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.737
    b = 4.502
    c = 2.55
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 2
    Total number of electrons per primitive cell = 8
  • Band gap = 0.0 eV
    Direct Gap = 0.018 eV
    Metallicity = 0.449
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    New high-pressure phase of Si Locality: synthetic Sample: structure exists between 13 GPa to 18 GPa Note: intermediate structure between those of Si II and Si V,
    Physical Review B 47, 8337 (1993)

Band structure with spin-orbit coupling