• Formula : SiC
  • Space Group : R3m (160)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 3.073
    b = 3.073
    c = 52.78
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 56
  • Band gap = 1.6226 eV
    Direct Gap = 2.836 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of alpha-SiC, type IV,
    American Mineralogist 29, 431 (1944)

Band structure with spin-orbit coupling