• Formula : C
  • Space Group : Fmmm (69)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 2.456
    b = 4.254
    c = 6.696
    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 = 0.005 eV
    Metallicity = 0.011
    Topological Z2 indices ν = (0;110)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The problem of the graphite structure,
    American Mineralogist 35, 125 (1950)

Band structure with spin-orbit coupling