• Formula : NaAg(NO2)2
  • Space Group : Fdd2 (43)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 7.913
    b = 10.721
    c = 10.857
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 108
  • Band gap = 2.1271 eV
    Direct Gap = 2.230 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 200377

Band structure with spin-orbit coupling