| Crystal structure | Band structure | Phonon dispersion |
|---|---|---|
|
|
| Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
|---|---|---|---|---|---|---|---|
| s-5603 | AlCrS3 | P3m1 | 3m | 3.5825 | p39 | 0.73 | True |
| a | b | c | α | β | γ |
|---|---|---|---|---|---|
| 3.55 | 3.55 | 8.73 | 90.00 | 90.00 | 120.00 |
| building block id 1 | building block id 2 |
|---|---|
| 2di-670 | 2di-539 |