Table 1 Calculated lattice vectors and the number of atoms in the periodic interface slab models used to obtain Eint values
From: An unconstrained approach to systematic structural and energetic screening of materials interfaces
Model | a/Å | b/Å | Number of atoms |
|---|---|---|---|
anatase (101)/(001) | 41.262 | 29.605 | 2700 |
anatase (101)/rutile (110) | 30.057 | 51.317 | 3360 |
