• Formula : Cr2B3
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.0264
    b = 18.115
    c = 2.9542
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 74
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.854
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structural investigation of Cr2 B3, Cr3 B4, and Cr B by single-crystal diffractometry,
    Journal of Solid State Chemistry 68, 61 (1987)

Band structure with spin-orbit coupling