Ba1Cr1F6

MatHub3d-11967-Ba1Cr1F6

Basic properties

Property Value
Space group (166, "'R-3m'")
Magnetic True
Magnetic moment (μB) 1.99
Band gap (PBE) (eV) 0
Total energy (eV) -43.852
Total energy / atom (eV) -5.481

Lattice Parameters(from the source)

a, b, c (Å): 7.330 7.330 7.140
α, β, γ(°): 90.0 90.0 120.0

Lattice Parameters(computed)

a, b, c (Å): 4.960 4.960 4.960
α, β, γ(°): 98.0 98.0 98.0

Density of States (DOS)







Electronic band structure (PBE)

Ba1Cr1F6
  
Property Value
Band gap 0 eV
Band degeneracy(CBM) 0.00

Data source

Property Value
Source icsd-10341-Ba1Cr1F6