| Crystal structure | Band structure | Phonon dispersion |
|---|---|---|
| |
|
| Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
|---|---|---|---|---|---|---|---|
| s-4752 | Zr2Sc2C | R-3m | -3m | 98.1176 | Ag2NiO2 | 0.00 | False |
| a | b | c | α | β | γ |
|---|---|---|---|---|---|
| 3.30 | 3.30 | 31.85 | 90.00 | 90.00 | 120.00 |
| building block id 1 | building block id 2 |
|---|---|
| 2di-622 | 2di-439 |