• Formula : Ta(TeBr3)2
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 6.809
    b = 7.104
    c = 12.399
    α = 95.29
    β = 98.05
    γ = 85.31
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 134
  • Band gap = 0.9582 eV
    Direct Gap = 1.001 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 401905

Band structure with spin-orbit coupling