• Formula : CsMnP3HO10
  • Space Group : C2 (5)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 8.9384
    b = 8.6385
    c = 6.4996
    α = 90.0
    β = 113.477
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 100
  • Band gap = 0.0 eV
    Direct Gap = 0.036 eV
    Metallicity = 0.803
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 51089

Band structure with spin-orbit coupling