• Formula : Bi
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.67256
    b = 6.1108
    c = 3.30013
    α = 90.0
    β = 110.412
    γ = 90.0
  • Number of atoms per primitive cell = 2
    Total number of electrons per primitive cell = 30
  • Band gap = 0.0 eV
    Direct Gap = 0.042 eV
    Metallicity = 0.657
    Topological Z2 indices ν = (0;001)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Refinement of the crystal structure of Bi-II, at 2.54 Gpa,
    Zeitschrift f\"ur Kristallographie - New Crystal Structures 218, 415 (2003)

Band structure with spin-orbit coupling