• Formula : C
  • Space Group : R-3m (166)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 3.635
    b = 3.635
    c = 3.635
    α = 39.49
    β = 39.49
    γ = 39.49
  • Number of atoms per primitive cell = 2
    Total number of electrons per primitive cell = 8
  • Band gap = 0.0479 eV
    Direct Gap = 0.048 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

Band structure with spin-orbit coupling