• Formula : Ba(AlTe2)2
  • Space Group : P4/nbm (125)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.516
    b = 8.516
    c = 6.713
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 80
  • Band gap = 1.3483 eV
    Direct Gap = 1.348 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 41165

Band structure with spin-orbit coupling