• Formula : VSb2O5
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 17.989
    b = 4.7924
    c = 5.5
    α = 90.0
    β = 95.15
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 106
  • Band gap = 0.8007 eV
    Direct Gap = 0.000 eV
    Metallicity = 1.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    A redetermination of the structure of Sb2VO5, stibivanite, a new mineral,
    The Canadian Mineralogist 18, 333 (1980)

Band structure with spin-orbit coupling