• Formula : BN
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 2.54
    b = 2.54
    c = 6.598
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 16
  • Band gap = 4.1848 eV
    Direct Gap = 4.579 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Rhombohedral boron subnitride, B~13~N~2~, by X-ray powder diffraction,
    Acta Crystallographica Section C 63, i80 (2007)

Band structure with spin-orbit coupling