• Formula : Na5MnO4
  • Space Group : Pmn2_1 (31)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 5.882
    b = 7.769
    c = 6.005
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 168
  • Band gap = 0.0 eV
    Direct Gap = 0.009 eV
    Metallicity = 0.285
    Topological Z2 indices ν = (1;001)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 47101

Band structure with spin-orbit coupling

Wannier charge center (WCC) at six time-reversal invariant planes