| Crystal structure | Band structure | Phonon dispersion |
|---|---|---|
| |
|
| Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
|---|---|---|---|---|---|---|---|
| s-4391 | Ca2HgAs2 | P3m1 | 3m | 33.4970 | p37 | 0.14 | False |
| a | b | c | α | β | γ |
|---|---|---|---|---|---|
| 4.61 | 4.61 | 7.24 | 90.00 | 90.00 | 120.00 |
| building block id 1 | building block id 2 |
|---|---|
| 2di-436 | 2di-84 |