• Formula : LiZnN
  • Space Group : F-43m (216)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 4.877
    b = 4.877
    c = 4.877
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 3
    Total number of electrons per primitive cell = 20
  • Band gap = 0.6469 eV
    Direct Gap = 0.647 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Kristallstrukturen Li Mg N, Li Zn N, Li3 Al N2 und Li3 Ga N2,
    Naturwissenschaften 33, 121 (1946)

Band structure with spin-orbit coupling