• Formula : Cs2Zr(AgTe2)2
  • Space Group : C222 (21)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 6.508
    b = 15.164
    c = 6.518
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 68
  • Band gap = 1.2649 eV
    Direct Gap = 1.606 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 80195

Band structure with spin-orbit coupling