• Formula : BN
  • Space Group : P-6m2 (187)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 2.51
    b = 2.51
    c = 6.69
    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 = 4.3937 eV
    Direct Gap = 4.522 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    An X-Ray Examination of the Structure of Boron Nitride,
    Acta Physicochimica (USSR) 7, 699 (1937)

Band structure with spin-orbit coupling