• Formula : Bi2Pb2Se5
  • Space Group : P-3m1 (164)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.22
    b = 4.22
    c = 17.42
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 88
  • Band gap = 0.0977 eV
    Direct Gap = 0.215 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (1;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 30372

Band structure with spin-orbit coupling