• Formula : YB4
  • Space Group : P4/mbm (127)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.11
    b = 7.11
    c = 4.02
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 92
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.218
    Topological Z2 indices ν = (1;001)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of YB~4~,
    Zeitschrift f\"ur Kristallographie 122, 423 (1965)

Band structure with spin-orbit coupling