• Formula : KInTe2
  • Space Group : I4/mcm (140)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.598
    b = 8.598
    c = 7.312
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 68
  • Band gap = 0.9234 eV
    Direct Gap = 1.267 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The KInTe~2~ structure revisited,
    Acta Crystallographica Section C 49, 1588 (1993)

Band structure with spin-orbit coupling