| Crystal structure | Band structure | Phonon dispersion |
|---|---|---|
| |
|
|
| Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
|---|---|---|---|---|---|---|---|
| s-3356 | NbAlSe2S | P3m1 | 3m | 47.2207 | p31 | 0.20 | False |
| a | b | c | α | β | γ |
|---|---|---|---|---|---|
| 3.56 | 3.56 | 10.09 | 90.00 | 90.00 | 120.00 |
| building block id 1 | building block id 2 |
|---|---|
| 2di-539 | 2di-9 |