• Formula : Ba(PdS2)2
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.252
    b = 6.764
    c = 6.687
    α = 90.0
    β = 110.45
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 140
  • Band gap = 0.8771 eV
    Direct Gap = 1.024 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 79930

Band structure with spin-orbit coupling