• Formula : Y3FeB7
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.423
    b = 15.859
    c = 9.396
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 124
  • Band gap = 0.0 eV
    Direct Gap = 0.016 eV
    Metallicity = 0.527
    Topological Z2 indices ν = (0;110)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Redetermination of the structure of the compound Y3ReB7 and Related Compounds,
    Journal of the Less-Common Metals 117, 29 (1986)

Band structure with spin-orbit coupling