Cl2O2V2
MatHub2d-1385-Cl2O2V2
| Property | Value |
|---|---|
| Space group | (59, 'Pmmn') |
| Crystal system | rectangular |
| Magnetic | Yes |
| Band gap (PBE) (eV) | 1.20 |
| Free energy (eV) | -39.112 |
| Free energy / atom (eV) | -6.519 |
| a, b, c (Å): | 3.335 | 3.881 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| a, b, c (Å): | 3.364 | 3.842 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Cl2O2V2
Cl2O2V2
| Property | Value |
|---|---|
| Band gap | 1.20 eV |
| E-fermi | -3.484 eV |
| VBM | -3.878 eV |
| CBM | -2.675 eV |
| Free energy (eV) | -39.133 |
| Free energy / atom (eV) | -6.522 |
Cl2O2V2
| Property | Value |
|---|---|
| Band gap | 1.20 eV |
| E-fermi | -3.486 eV |
| Vacuum level | 2.660 eV |
| VBM | -3.870 eV |
| CBM | -2.665 eV |
| Work function | 6.146 eV |
Seebeck
p-type
n-type
Sigma
p-type
n-type
| Property | Value |
|---|---|
| from where | c2db-408 |