• Formula : BiPtPb3
  • Space Group : P4_2/mnm (136)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 11.45
    b = 11.45
    c = 4.077
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 268
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.923
    Topological Z2 indices ν = (1;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 58834

Band structure with spin-orbit coupling