• Formula : SbAsO4
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.794
    b = 6.925
    c = 5.307
    α = 90.0
    β = 93.55
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 68
  • Band gap = 0.0 eV
    Direct Gap = 3.878 eV
    Metallicity = 1.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Antimony(III) arsenic(V) oxide,
    Acta Crystallographica, Section B 36, 1923 (1980)

Band structure with spin-orbit coupling