• Formula : NbSbO4
  • Space Group : Pna2_1 (33)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 5.557
    b = 4.932
    c = 11.795
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 168
  • Band gap = 0.0 eV
    Direct Gap = 2.791 eV
    Metallicity = 1.000
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure and lattice dynamics of Sb Nb O4 crystals at 300-1000 K,
    Kristallografiya 26, 341 (1981)

Band structure with spin-orbit coupling