O13Sr2Ti6

MatHub3d-69208-O13Sr2Ti6

Property Value
Space group (12, "'C2/m'")
Magnetic True
Magnetic moment (μB) 1.99
Band gap (PBE) (eV) 1.07
Total energy (eV) -161.590
Total energy / atom (eV) -7.695

Lattice Parameters(from the source)

a, b, c (Å): 15.250 3.770 9.160
α, β, γ(°): 90.0 99.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 7.990 7.990 9.260
α, β, γ(°): 99.0 99.0 28.0

Deformation Potential

n_type (eV): 1.227
p_type (eV): -0.520
O13Sr2Ti6
.
Property Value
Bulk-modulus 159.549 GPa






O13Sr2Ti6
  
Property Value
Band gap 1.07 eV
Band degeneracy(CBM) 1.00
Band degeneracy(VBM) 1.00
n-type Seebeck coefficient (700K)



p-type Seebeck coefficient (700K)
n-type conductivity (700K)



p-type conductivity (700K)
n-type power factor (700K)



p-type power factor (700K)
Property Value
Source icsd-10455-O13Sr2Ti6