• Formula : Ag2S2O7
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.8199
    b = 6.8462
    c = 6.93734
    α = 86.855
    β = 63.055
    γ = 85.841
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 152
  • Band gap = 2.0364 eV
    Direct Gap = 2.313 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 423166

Band structure with spin-orbit coupling