Fe8O16Si4

MatHub3d-48109-Fe8O16Si4

Basic properties

Property Value
Space group (62, "'Pnma'")
Magnetic True
Magnetic moment (μB) 32.00
Band gap (PBE) (eV) 2.76
Total energy (eV) -204.702
Total energy / atom (eV) -7.311

Lattice Parameters(from the source)

a, b, c (Å): 10.490 6.100 4.830
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 10.610 6.140 4.870
α, β, γ(°): 90.0 90.0 90.0

Deformation Potential

n_type (eV): -13.012
p_type (eV): -9.240

Energy and volume

Fe8O16Si4
.
Property Value
Bulk-modulus 164.807 GPa

Density of States (DOS)







Electronic band structure (PBE)

Fe8O16Si4
  
Property Value
Band gap 2.76 eV
Band degeneracy(CBM) 0.00
Band degeneracy(VBM) 1.00

Electric transport properties

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)

Data source

Property Value
Source icsd-10116-Fe8O16Si4