• Formula : BC5
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.455
    b = 4.459
    c = 4.462
    α = 119.89
    β = 80.81
    γ = 79.8
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 46
  • Band gap = 0.0 eV
    Direct Gap = 0.084 eV
    Metallicity = 0.417
    Topological Z2 indices ν = (1;110)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 166556

Band structure with spin-orbit coupling