• Formula : Bi(PdO2)2
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.73632
    b = 6.02532
    c = 6.411
    α = 114.371
    β = 95.91
    γ = 111.54
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 150
  • Band gap = 0.0 eV
    Direct Gap = 0.134 eV
    Metallicity = 0.105
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 263051

Band structure with spin-orbit coupling