| Crystal structure | Band structure | Phonon dispersion |
|---|---|---|
| |
|
| Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
|---|---|---|---|---|---|---|---|
| s-4715 | Ca2MgAs2 | P3m1 | 3m | 36.7556 | p37 | 1.14 | False |
| a | b | c | α | β | γ |
|---|---|---|---|---|---|
| 4.58 | 4.58 | 7.28 | 90.00 | 90.00 | 120.00 |
| building block id 1 | building block id 2 |
|---|---|
| 2di-513 | 2di-436 |