| Crystal structure | Band structure | Phonon dispersion |
|---|---|---|
|
|
| Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
|---|---|---|---|---|---|---|---|
| s-3400 | BaCuAs | P-6m2 | -6m2 | 1.4384 | LiBaSi | 0.00 | False |
| a | b | c | α | β | γ |
|---|---|---|---|---|---|
| 4.35 | 4.35 | 4.69 | 90.00 | 90.00 | 120.00 |
| building block id 1 | building block id 2 |
|---|---|
| 2di-66 | 2di-12 |