Br2O2W2
MatHub2d-1250-Br2O2W2
| Property |
Value |
| Space group |
(59, 'Pmmn') |
| Crystal system |
rectangular |
| Magnetic |
|
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-38.815 |
| Free energy / atom (eV) |
-6.469 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.068 | 4.085 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.072 | 4.105 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.666 eV |
| Vacuum level |
2.487 eV |
| VBM |
-1.669 eV |
| CBM |
-1.665 eV |
| Work function |
4.152 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.666 eV |
| Vacuum level |
2.487 eV |
| VBM |
-1.669 eV |
| CBM |
-1.665 eV |
| Work function |
4.152 eV |
| Property |
Value |
| from where |
c2db-422 |
