• Formula : ZrBi
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.858
    b = 10.77
    c = 14.325
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 114
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.692
    Topological Z2 indices ν = (1;110)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Refinement of the crystal structure of zirconium monobismuthide, ZrBi,
    Zeitschrift f\"ur Kristallographie - New Crystal Structures 219, 3 (2004)

Band structure with spin-orbit coupling