• Formula : ReB
  • Space Group : I4_1/amd (141)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.586
    b = 10.586
    c = 4.201
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 144
  • Band gap = 0.0 eV
    Direct Gap = 0.003 eV
    Metallicity = 0.609
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    New incommensurate structures of the borides Pr41(Mn4B4)35 and Pr7(Re4B4)6,
    Journal of Alloys Compd. 203, 55 (1994)

Band structure with spin-orbit coupling