• Formula : SbAsO3
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.5757
    b = 13.1288
    c = 5.4216
    α = 90.0
    β = 95.039
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 112
  • Band gap = 0.0 eV
    Direct Gap = 3.554 eV
    Metallicity = 1.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure and bonding in the new mineral AsSbO3,
    General Meeting of the International Mineralogical Association 19, 142 (2006)

Band structure with spin-orbit coupling