• Formula : AgMoH4S4N
  • Space Group : I-4 (82)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 7.874
    b = 7.874
    c = 5.7733
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 11
    Total number of electrons per primitive cell = 58
  • Band gap = 1.307 eV
    Direct Gap = 1.586 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 236249

Band structure with spin-orbit coupling