• Formula : Ta2PdSe6
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.423
    b = 3.375
    c = 12.196
    α = 90.0
    β = 113.68
    γ = 90.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 80
  • Band gap = 0.0 eV
    Direct Gap = 0.026 eV
    Metallicity = 0.245
    Topological Z2 indices ν = (1;110)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 61005

Band structure with spin-orbit coupling