• Formula : YCo4B
  • Space Group : P6/mmm (191)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.02
    b = 5.02
    c = 6.893
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 164
  • Band gap = 0.0 eV
    Direct Gap = 0.005 eV
    Metallicity = 0.493
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal and magnetic structure of Y Co(4-x) Fe(x) B,
    Journal of Applied Physics 89, 71 (2001)

Band structure with spin-orbit coupling