• Formula : NbInO4
  • Space Group : P2/c (13)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.144
    b = 5.7709
    c = 4.8355
    α = 90.0
    β = 91.13
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 100
  • Band gap = 3.3256 eV
    Direct Gap = 3.449 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    On the structural and luminescent properties of the In Ta(1-x) Nb(x) O4 system,
    Materials Research Bulletin 15, 607 (1980)

Band structure with spin-orbit coupling