• Formula : BC2N
  • Space Group : Pmm2 (25)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 3.57
    b = 3.609
    c = 3.57
    α = 89.5
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 16
  • Band gap = 2.0673 eV
    Direct Gap = 2.222 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 191797

Band structure with spin-orbit coupling