• Formula : Te3(PdBr)4
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.4249
    b = 8.45
    c = 8.648
    α = 82.55
    β = 73.361
    γ = 88.798
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 236
  • Band gap = 0.6609 eV
    Direct Gap = 0.785 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 418003

Band structure with spin-orbit coupling