| Crystal structure | Band structure | Phonon dispersion |
|---|---|---|
|
|
| Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
|---|---|---|---|---|---|---|---|
| s-3802 | Ca2ZnAs2 | R3m | 3m | 52.5480 | p24 | 0.01 | False |
| a | b | c | α | β | γ |
|---|---|---|---|---|---|
| 4.34 | 4.34 | 22.17 | 90.00 | 90.00 | 120.00 |
| building block id 1 | building block id 2 |
|---|---|
| 2di-436 | 2di-33 |