Fe1O2

MatHub3d-46001-Fe1O2

Basic properties

Property Value
Space group (164, "'P-3m1'")
Magnetic True
Magnetic moment (μB) 2.00
Band gap (PBE) (eV) 0.66
Total energy (eV) -18.042
Total energy / atom (eV) -6.014

Lattice Parameters(from the source)

a, b, c (Å): 3.260 3.260 4.610
α, β, γ(°): 90.0 90.0 120.0

Lattice Parameters(computed)

a, b, c (Å): 2.870 2.870 4.670
α, β, γ(°): 90.0 90.0 120.0

Deformation Potential

n_type (eV): -10.663
p_type (eV): -4.900

Energy and volume

Fe1O2
.
Property Value
Bulk-modulus 170.178 GPa

Density of States (DOS)







Electronic band structure (PBE)

Fe1O2
  
Property Value
Band gap 0.66 eV
Band degeneracy(CBM) 3.00
Band degeneracy(VBM) 3.00

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-107289-Fe1O2