• Formula : AlBO3
  • Space Group : R-3c (167)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.4638
    b = 4.4638
    c = 13.745
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 48
  • Band gap = 5.9642 eV
    Direct Gap = 6.081 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Refinement of aluminium orthoborate Sample: 0-30 degree reflections Note: calcite structure type,
    Acta Crystallographica, Section B 33, 3607 (1977)

Band structure with spin-orbit coupling