• Formula : K4P2PdS8
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.38
    b = 6.897
    c = 8.999
    α = 87.777
    β = 81.581
    γ = 84.429
  • Number of atoms per primitive cell = 15
    Total number of electrons per primitive cell = 112
  • Band gap = 1.7253 eV
    Direct Gap = 1.731 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 165312

Band structure with spin-orbit coupling