• Formula : SrNbO3
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.6894
    b = 8.0684
    c = 5.6944
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 164
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.636
    Topological Z2 indices ν = (0;110)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Transmission electron microscopy and neutron powder diffraction studies of (Gd Fe O3)-type Sr Nb O3,
    Journal of Solid State Chemistry 147, 421 (1999)

Band structure with spin-orbit coupling