• Formula : Ta2Te4Br10O
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 6.922
    b = 8.772
    c = 9.17
    α = 81.91
    β = 86.39
    γ = 74.23
  • Number of atoms per primitive cell = 17
    Total number of electrons per primitive cell = 126
  • Band gap = 0.9159 eV
    Direct Gap = 1.069 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 401906

Band structure with spin-orbit coupling