• Formula : BC2N
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.591
    b = 3.591
    c = 3.591
    α = 78.37
    β = 101.6
    γ = 90.19
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 32
  • Band gap = 0.0 eV
    Direct Gap = 0.005 eV
    Metallicity = 0.202
    Topological Z2 indices ν = (0;111)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 191803

Band structure with spin-orbit coupling