• Formula : Ta2Se3
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.495
    b = 3.408
    c = 9.206
    α = 90.0
    β = 103.63
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 88
  • Band gap = 0.0 eV
    Direct Gap = 0.066 eV
    Metallicity = 0.151
    Topological Z2 indices ν = (1;010)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 42982

Band structure with spin-orbit coupling