• Formula : Nb2PdS6
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.99
    b = 3.3
    c = 11.78
    α = 90.0
    β = 112.38
    γ = 90.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 80
  • Band gap = 0.0 eV
    Direct Gap = 0.031 eV
    Metallicity = 0.279
    Topological Z2 indices ν = (1;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 600718

Band structure with spin-orbit coupling