• Formula : NaSbO3
  • Space Group : R-3 (148)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.301
    b = 5.301
    c = 15.932
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 64
  • Band gap = 3.1157 eV
    Direct Gap = 3.254 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Brizzite, NaSbO3, a new mineral from the Cetine mine (Tuscany, Italy): description and crystal structure Locality: Cetine mine, Tuscany, Italy,
    European Journal of Mineralogy 6, 667 (1994)

Band structure with spin-orbit coupling