Cl2N2Zr2
MatHub2d-1366-Cl2N2Zr2
| Property | Value |
|---|---|
| Space group | (59, 'Pmmn') |
| Crystal system | rectangular |
| Magnetic | No |
| Band gap (PBE) (eV) | 1.84 |
| Free energy (eV) | -48.283 |
| Free energy / atom (eV) | -8.047 |
| a, b, c (Å): | 3.539 | 4.135 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| a, b, c (Å): | 3.549 | 4.150 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Cl2N2Zr2
Cl2N2Zr2
| Property | Value |
|---|---|
| Band gap | 1.84 eV |
| E-fermi | -3.476 eV |
| VBM | -3.779 eV |
| CBM | -1.940 eV |
| Free energy (eV) | -48.422 |
| Free energy / atom (eV) | -8.070 |
Cl2N2Zr2
| Property | Value |
|---|---|
| Band gap | 1.84 eV |
| E-fermi | -3.466 eV |
| Vacuum level | 2.731 eV |
| VBM | -3.768 eV |
| CBM | -1.928 eV |
| Work function | 6.197 eV |
Seebeck
p-type
n-type
Sigma
p-type
n-type
| Property | Value |
|---|---|
| from where | c2db-437 |