• Formula : NaBiO2
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.3917
    b = 7.2554
    c = 5.8823
    α = 90.0
    β = 127.694
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 72
  • Band gap = 1.311 eV
    Direct Gap = 1.317 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structural changes within and between the two isotypic series A Bi O2 (A = Na, K, Rb, Cs) and A Sb O2 (A = K, Rb, Cs),
    Zeitschrift fuer Kristallographie (149,1979-) 223, 431 (2008)

Band structure with spin-orbit coupling