• Formula : Mn3(BO3)2
  • Space Group : Pnnm (58)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.658
    b = 8.74
    c = 4.646
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 174
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.907
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Verfeinerung der kristallstrukturen der isotypen verbindungen M3(BO3)2 mit M=Mg, Co und Ni (strukturtyp: kotoit) Locality: synthetic,
    Zeitschrift fur Kristallographie 166, 129 (1984)

Band structure with spin-orbit coupling