• Formula : K2NaAg3(CN)6
  • Space Group : P-31m (162)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 7.0509
    b = 7.0509
    c = 8.5766
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 114
  • Band gap = 2.6697 eV
    Direct Gap = 2.670 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 65699

Band structure with spin-orbit coupling