• Formula : BN
  • Space Group : Cc (9)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 3.0
    b = 9.48
    c = 4.33
    α = 90.0
    β = 105.1
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 32
  • Band gap = 3.3515 eV
    Direct Gap = 4.168 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 162880

Band structure with spin-orbit coupling