• Formula : FeB
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.053
    b = 5.495
    c = 2.946
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 44
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.776
    Topological Z2 indices ν = (0;011)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of Fe2P, Fe2N, Fe3N and FeB,
    Zeitschrift fur Kristallographie 74, 511 (1930)

Band structure with spin-orbit coupling