| Host properties | |
|---|---|
| Host chemical formula | MoTe2 |
| Calculation supercell | 331 |
| Host spacegroup symbol | 187 |
| Host energy [eV] | -163.303 |
| Structural properties | |
|---|---|
| Impurity species | Co |
| Impurity type | adsorbate |
| Depth parameter | 2.420 |
| Extension factor | 0.977 |
| Defect setup position | ads0 |
| Electronic properties | |
|---|---|
| Magnetic moment | 3 |
| Total energy [eV] | -166.030 |
| Formation energy [eV] | 4.308 |
| Dopant chemical potential [eV] | -7.035 |
| Total energy convergence [eV] | -0.000 |