• Formula : CuAgTe2
  • Space Group : Pmm2 (25)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 3.12
    b = 4.05
    c = 6.875
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 34
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.916
    Topological Z2 indices ν = (1;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 42482

Band structure with spin-orbit coupling

Wannier charge center (WCC) at six time-reversal invariant planes