| Host properties | |
|---|---|
| Host chemical formula | NbSe2 |
| Calculation supercell | 331 |
| Host spacegroup symbol | 187 |
| Host energy [eV] | -178.856 |
| Structural properties | |
|---|---|
| Impurity species | Dy |
| Impurity type | interstitial |
| Depth parameter | -0.034 |
| Extension factor | 1.072 |
| Defect setup position | int0 |
| Electronic properties | |
|---|---|
| Magnetic moment | 0 |
| Total energy [eV] | -179.055 |
| Total energy convergence [eV] | 0.000 |