• Formula : KCu3Te2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 16.453
    b = 4.294
    c = 8.661
    α = 90.0
    β = 111.86
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 108
  • Band gap = 0.3579 eV
    Direct Gap = 0.358 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Zur Kenntnis von Na2 Cu4 S3 und K Cu3 Te2,
    Materials Research Bulletin 16, 1291 (1981)

Band structure with spin-orbit coupling