• Formula : Na2LiN
  • Space Group : P6/mmm (191)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.0
    b = 4.0
    c = 4.2
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 26
  • Band gap = 0.0 eV
    Direct Gap = 0.012 eV
    Metallicity = 0.037
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Investigation of the possible ternary nitrides in the system (Li3 N)/(Na3 N),
    Solid State Sciences 2, 449 (2000)

Band structure with spin-orbit coupling