• Formula : MnB
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.56
    b = 2.977
    c = 4.145
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 72
  • Band gap = 0.0 eV
    Direct Gap = 0.010 eV
    Metallicity = 0.591
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The borides of manganese,
    Acta Chemica Scandinavica (1-27,1973-42,1988) 4, 146 (1950)

Band structure with spin-orbit coupling