| Crystal structure | Band structure | Phonon dispersion |
|---|---|---|
|
|
| Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
|---|---|---|---|---|---|---|---|
| s-5012 | CdPPbI | P3m1 | 3m | 76.2841 | p28 | 0.42 | False |
| a | b | c | α | β | γ |
|---|---|---|---|---|---|
| 4.34 | 4.34 | 7.82 | 90.00 | 90.00 | 120.00 |
| building block id 1 | building block id 2 |
|---|---|
| 2di-602 | 2di-464 |