• Formula : Cr3B4
  • Space Group : Immm (71)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 2.986
    b = 13.02
    c = 2.952
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 7
    Total number of electrons per primitive cell = 54
  • Band gap = 0.0 eV
    Direct Gap = 0.010 eV
    Metallicity = 0.693
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The Crystal Structure of Cr3 B4,
    Acta Chemica Scandinavica (1-27,1973-42,1988) 15, 1178 (1961)

Band structure with spin-orbit coupling