• Formula : KAg3Se2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 16.61
    b = 4.384
    c = 8.759
    α = 90.0
    β = 115.55
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 108
  • Band gap = 0.0 eV
    Direct Gap = 0.023 eV
    Metallicity = 0.017
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of potassium diselenotriargentate, K Ag3 Se2,
    Zeitschrift fuer Kristallographie - New Crystal Structures 212, 97 (1997)

Band structure with spin-orbit coupling