• Formula : CaMnF5
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.938
    b = 6.369
    c = 7.83
    α = 90.0
    β = 116.23
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 120
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.361
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Zum Jahn-Teller-effekt bei Mn(III)-fluoriden: CaMnF5,
    Revue de Chimie Minerale 23, 520 (1986)

Band structure with spin-orbit coupling