• Formula : Y(BRh)4
  • Space Group : P4_2/nmc (137)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.308
    b = 5.308
    c = 7.403
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 182
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.889
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystallography of new ternary borides,
    Proceedings of the National Academy of Sciences, U.S.A. 74, 1336 (1977)

Band structure with spin-orbit coupling