• Formula : CrBO3
  • Space Group : R-3c (167)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.573
    b = 4.573
    c = 14.23
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 70
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.476
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    X-ray evidence for Cr B O3, V B O3 and Ti B O3 with calcite structure,
    Acta Crystallographica (1,1948-23,1967) 17, 1080 (1964)

Band structure with spin-orbit coupling