• Formula : AgN3
  • Space Group : I4/mcm (140)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.58
    b = 5.93
    c = 6.04
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 52
  • Band gap = 1.6092 eV
    Direct Gap = 1.609 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure cristalline de l'azoture d'argent.,
    Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 201, 735 (1935)

Band structure with spin-orbit coupling