Ca2Fe2O12Si4

MatHub3d-25097-Ca2Fe2O12Si4

Property Value
Space group (15, "'C2/c'")
Magnetic True
Magnetic moment (μB) 8.00
Band gap (PBE) (eV) 3.16
Total energy (eV) -149.457
Total energy / atom (eV) -7.473

Lattice Parameters(from the source)

a, b, c (Å): 9.910 9.160 5.270
α, β, γ(°): 90.0 105.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 6.750 6.750 5.340
α, β, γ(°): 101.0 101.0 84.0

Deformation Potential

n_type (eV): -3.687
p_type (eV): 1.202
Ca2Fe2O12Si4
.
Property Value
Bulk-modulus 168.084 GPa






Ca2Fe2O12Si4
  
Property Value
Band gap 3.16 eV
Band degeneracy(CBM) 0.00
Band degeneracy(VBM) 0.00
Property Value
Source icsd-10230-Ca2Fe2O12Si4