• Formula : KN3
  • Space Group : I4/mcm (140)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.1188
    b = 6.1188
    c = 7.1015
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 48
  • Band gap = 0.0 eV
    Direct Gap = 0.007 eV
    Metallicity = 0.710
    Topological Z2 indices ν = (0;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Experimental charge density distribution in potassium azide by diffraction methods,
    Acta Crystallographica A (24,1968-38,1982) 33, 580 (1977)

Band structure with spin-orbit coupling