| Crystal structure | Band structure | Phonon dispersion |
|---|---|---|
| |
|
| Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
|---|---|---|---|---|---|---|---|
| s-4812 | Ba2Mg2As2F2 | R-3m | -3m | 39.7009 | NdZnPO | 1.72 | False |
| a | b | c | α | β | γ |
|---|---|---|---|---|---|
| 4.48 | 4.48 | 34.44 | 90.00 | 90.00 | 120.00 |
| building block id 1 | building block id 2 |
|---|---|
| 2di-571 | 2di-446 |