F6Fe1Zr1

MatHub3d-43023-F6Fe1Zr1

Basic properties

Property Value
Space group (225, "'Fm-3m'")
Magnetic True
Magnetic moment (μB) 4.02
Band gap (PBE) (eV) 0
Total energy (eV) -50.095
Total energy / atom (eV) -6.262

Lattice Parameters(from the source)

a, b, c (Å): 8.090 8.090 8.090
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 5.790 5.790 5.790
α, β, γ(°): 60.0 60.0 60.0

Density of States (DOS)







Electronic band structure (PBE)

F6Fe1Zr1
  
Property Value
Band gap 0 eV
Band degeneracy(CBM) 0.00

Data source

Property Value
Source icsd-100301-F6Fe1Zr1