• Formula : Ag2SeO3
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.854
    b = 10.332
    c = 6.956
    α = 90.0
    β = 91.13
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 184
  • Band gap = 1.8233 eV
    Direct Gap = 1.895 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure and thermal stability of silver selenite,
    Acta Chemica Scandinavica (43,1989-) 48, 857 (1994)

Band structure with spin-orbit coupling