• Formula : PdSe
  • Space Group : P4_2/m (84)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.73
    b = 6.73
    c = 6.91
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 192
  • Band gap = 0.0 eV
    Direct Gap = 0.017 eV
    Metallicity = 0.120
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 77895

Band structure with spin-orbit coupling