| Crystal structure | Band structure | Phonon dispersion |
|---|---|---|
| |
|
| Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
|---|---|---|---|---|---|---|---|
| s-2179 | Ca2Al2Si2F2 | P4/nmm | 4/mmm | 47.7977 | ZrCuSiAs | 0.00 | False |
| a | b | c | α | β | γ |
|---|---|---|---|---|---|
| 4.00 | 4.00 | 9.02 | 90.00 | 90.00 | 90.00 |
| building block id 1 | building block id 2 |
|---|---|
| 2di-389 | 2di-219 |