| Crystal structure | Band structure | Phonon dispersion |
|---|---|---|
| |
|
| Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
|---|---|---|---|---|---|---|---|
| s-4863 | Y2Si2Ge2 | R-3m | -3m | 97.3706 | CaUO4 | 0.00 | False |
| a | b | c | α | β | γ |
|---|---|---|---|---|---|
| 3.84 | 3.84 | 30.70 | 90.00 | 90.00 | 120.00 |
| building block id 1 | building block id 2 |
|---|---|
| 2di-491 | 2di-453 |