Al4Ca2F12O4

MatHub3d-3263-Al4Ca2F12O4

Basic properties

Property Value
Space group (15, "'C2/c'")
Magnetic True
Magnetic moment (μB) 4.00
Band gap (PBE) (eV) 0.59
Total energy (eV) -124.707
Total energy / atom (eV) -5.669

Lattice Parameters(from the source)

a, b, c (Å): 6.700 11.130 7.330
α, β, γ(°): 90.0 95.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 6.550 6.550 7.620
α, β, γ(°): 92.0 92.0 118.0

Density of States (DOS)







Electronic band structure (PBE)

Al4Ca2F12O4
  
Property Value
Band gap 0.59 eV
Band degeneracy(CBM) 1.00
Band degeneracy(VBM) 0.00

Data source

Property Value
Source icsd-10267-Al4Ca2F12O4