F4O4Sc4
MatHub3d-42861-F4O4Sc4
| Property | Value |
|---|---|
| Space group | (14, "'P2_1/c'") |
| Magnetic | False |
| Band gap (PBE) (eV) | 4.80 |
| Total energy (eV) | -92.337 |
| Total energy / atom (eV) | -7.695 |
| a, b, c (Å): | 5.170 | 5.150 | 5.250 |
| α, β, γ(°): | 90.0 | 100.0 | 90.0 |
| a, b, c (Å): | 5.300 | 5.260 | 5.360 |
| α, β, γ(°): | 90.0 | 100.0 | 90.0 |
| n_type (eV): | 2.172 |
| p_type (eV): | 5.546 |
F4O4Sc4
| Property | Value |
|---|---|
| Bulk-modulus | 147.192 GPa |
F4O4Sc4
| Property | Value |
|---|---|
| Band gap | 4.80 eV |
| Band degeneracy(CBM) | 1.00 |
| Band degeneracy(VBM) | 2.00 |
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)
| Eband_VBM | -5.58311 |
| Eband_CBM | -122.78849 |
| Property | Value |
|---|---|
| Source | icsd-100564-F4O4Sc4 |