• Formula : MnH2SeO5
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.205
    b = 8.118
    c = 7.962
    α = 90.0
    β = 117.78
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 106
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.362
    Topological Z2 indices ν = (1;010)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 66746

Band structure with spin-orbit coupling