Ac1Fe1O3
MatHub3d-27-Ac1Fe1O3
| Property | Value |
|---|---|
| Space group | (221, "'Pm-3m'") |
| Magnetic | TRUE |
| Magnetic moment (μB) | 3.70 |
| Band gap (PBE) (eV) | 0.87 |
| Total energy (eV) | -37.045 |
| Total energy / atom (eV) | -7.409 |
| a, b, c (Å): | 4.010 | 4.010 | 4.010 |
| α, β, γ(°): | 90.0 | 90.0 | 90.0 |
| a, b, c (Å): | 4.000 | 4.000 | 4.000 | ||
| α, β, γ(°): | 90.0 | 90.0 | 90.0 |
| n_type (eV): | 3.218 | 3.067 |
| p_type (eV): | 0.350 | 4.418 |
Ac1Fe1O3
| LDAUL | -1 2 -1 | LDAUU | 0 4.6 0 | LDAUJ | 0 0 0 |
| Property | Value |
|---|---|
| Band gap | 0.87 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 | mp-864241-Ac1Fe1O3 |