• Formula : Pd(Se3Br)2
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.3946
    b = 7.6054
    c = 7.9915
    α = 66.15
    β = 86.44
    γ = 80.9
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 68
  • Band gap = 0.7959 eV
    Direct Gap = 0.796 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 418160

Band structure with spin-orbit coupling