• Formula : KAg3Te2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 17.43
    b = 4.587
    c = 9.044
    α = 90.0
    β = 113.33
    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 = 0.042 eV
    Metallicity = 0.025
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of potassium telluro triargentate(I), K Ag3 Te2,
    Zeitschrift fuer Kristallographie (149,1979-) 211, 393 (1996)

Band structure with spin-orbit coupling