• Formula : AgC2N3
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 16.133
    b = 3.612
    c = 5.983
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 136
  • Band gap = 3.3948 eV
    Direct Gap = 3.569 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Silver dicyanamide, AgN(CN)2 - orthorhombic modification,
    Acta Crystallographica, Section C 46, 2297 (1990)

Band structure with spin-orbit coupling