• Formula : K2ZrTe3
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.089
    b = 14.148
    c = 6.986
    α = 90.0
    β = 105.9
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 160
  • Band gap = 0.4061 eV
    Direct Gap = 0.409 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 410734

Band structure with spin-orbit coupling