| Crystal structure | Band structure | Phonon dispersion |
|---|---|---|
|
|
| Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
|---|---|---|---|---|---|---|---|
| s-4751 | LiAlS2 | P-3m1 | -3m | 60.6840 | TlCdS2 | 2.73 | False |
| a | b | c | α | β | γ |
|---|---|---|---|---|---|
| 3.50 | 3.50 | 6.07 | 90.00 | 90.00 | 120.00 |
| building block id 1 | building block id 2 |
|---|---|
| 2di-539 | 2di-438 |