Table 1. Calculated Lattice Parameters and Angles in Janus Materials.
| materials | lattice | a (Å) | b (Å) | α | β | γ | bonds |
|---|---|---|---|---|---|---|---|
| WS2 (monolayer) | hexagonal | 3.191 | 3.191 | 90° | 90° | 120° | 2 W-S (2.422 Å) |
| WSSe (JTMDs) | hexagonal | 3.258 | 3.258 | 90° | 90° | 120° | 1 W-S (2.546 Å)1 W-Se (2.429 Å) |
| WSTe (JTMDs) | hexagonal | 3.370 | 3.370 | 90° | 90° | 120° | 1 W-S (2.445 Å)1 W-Te (2.729 Å) |