• Formula : AlN
  • Space Group : Fm-3m (225)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.956
    b = 3.956
    c = 3.956
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 2
    Total number of electrons per primitive cell = 8
  • Band gap = 5.1878 eV
    Direct Gap = 6.629 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Pressure-induced rocksalt phase of aluminum nitride: A metastable phase at ambient conditions,
    Journal of Applied Physics 73, 8198 (1993)

Band structure with spin-orbit coupling