| Crystal structure | Band structure | Phonon dispersion |
|---|---|---|
| |
|
| Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
|---|---|---|---|---|---|---|---|
| s-4701 | Ba2Be2BPO3F2 | P321 | 32 | 91.2175 | p48 | 1.55 | False |
| a | b | c | α | β | γ |
|---|---|---|---|---|---|
| 4.50 | 4.50 | 10.84 | 90.00 | 90.00 | 120.00 |
| building block id 1 | building block id 2 |
|---|---|
| 2di-475 | 2di-432 |