• Formula : BC2N
  • Space Group : Pmm2 (25)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 2.528
    b = 2.5024
    c = 3.5871
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 16
  • Band gap = 1.7669 eV
    Direct Gap = 1.967 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 93041

Band structure with spin-orbit coupling