• Formula : K2Mn2O3
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.992
    b = 6.454
    c = 6.374
    α = 90.0
    β = 113.9
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 132
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.388
    Topological Z2 indices ν = (1;101)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 61038

Band structure with spin-orbit coupling