• Formula : NaMnO2
  • Space Group : Pmmn (59)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 2.859
    b = 6.338
    c = 4.785
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 72
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.211
    Topological Z2 indices ν = (0;001)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ueber Li Mn O2 und beta Na Mn O2,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 417, 1 (1975)

Band structure with spin-orbit coupling