• Formula : BC2N
  • Space Group : Cm (8)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 3.592
    b = 3.597
    c = 3.592
    α = 89.82
    β = 90.38
    γ = 90.18
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 32
  • Band gap = 1.1686 eV
    Direct Gap = 1.169 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 191800

Band structure with spin-orbit coupling