| Host properties | |
|---|---|
| Host chemical formula | SnS2 |
| Calculation supercell | 331 |
| Host spacegroup symbol | 187 |
| Host energy [eV] | -107.586 |
| Structural properties | |
|---|---|
| Impurity species | Ru |
| Impurity type | interstitial |
| Depth parameter | -0.000 |
| Extension factor | 1.079 |
| Defect setup position | int0 |
| Electronic properties | |
|---|---|
| Magnetic moment | 0 |
| Total energy [eV] | -114.967 |
| Formation energy [eV] | 1.861 |
| Dopant chemical potential [eV] | -9.242 |
| Total energy convergence [eV] | -0.001 |