Host properties | |
---|---|
Host chemical formula | WTe2 |
Calculation supercell | 331 |
Host spacegroup symbol | 187 |
Host energy [eV] | -175.253 |
Structural properties | |
---|---|
Impurity species | Ce |
Impurity type | interstitial |
Depth parameter | 0.000 |
Extension factor | 1.129 |
Defect setup position | int4 |
Electronic properties | |
---|---|
Magnetic moment | 0 |
Total energy [eV] | -175.269 |
Total energy convergence [eV] | -0.000 |