| Host properties | |
|---|---|
| Host chemical formula | NbSe2 |
| Calculation supercell | 331 |
| Host spacegroup symbol | 187 |
| Host energy [eV] | -178.856 |
| Structural properties | |
|---|---|
| Impurity species | Sn |
| Impurity type | adsorbate |
| Depth parameter | 2.216 |
| Extension factor | 1.019 |
| Defect setup position | ads1 |
| Electronic properties | |
|---|---|
| Magnetic moment | 3 |
| Total energy [eV] | -184.278 |
| Formation energy [eV] | -1.575 |
| Dopant chemical potential [eV] | -3.846 |
| Total energy convergence [eV] | -0.465 |