| Crystal structure | Band structure | Phonon dispersion |
|---|---|---|
|
|
| Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
|---|---|---|---|---|---|---|---|
| s-4699 | LaPbSe2I | P3m1 | 3m | 64.6685 | p38 | 1.89 | True |
| a | b | c | α | β | γ |
|---|---|---|---|---|---|
| 4.46 | 4.46 | 10.08 | 90.00 | 90.00 | 120.00 |
| building block id 1 | building block id 2 |
|---|---|
| 2di-602 | 2di-431 |