| Crystal structure | Band structure | Phonon dispersion |
|---|---|---|
| |
|
| Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
|---|---|---|---|---|---|---|---|
| s-4705 | Be2BPbIO3F2 | P3 | 3 | 80.4144 | p43 | 2.81 | False |
| a | b | c | α | β | γ |
|---|---|---|---|---|---|
| 4.48 | 4.48 | 9.10 | 90.00 | 90.00 | 120.00 |
| building block id 1 | building block id 2 |
|---|---|
| 2di-602 | 2di-432 |