| Crystal structure | Band structure | Phonon dispersion |
|---|---|---|
| |
|
| Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
|---|---|---|---|---|---|---|---|
| s-4797 | K2Ta3S6 | P-62m | -6m2 | 2.3515 | p50 | 0.00 | False |
| a | b | c | α | β | γ |
|---|---|---|---|---|---|
| 5.88 | 5.88 | 7.99 | 90.00 | 90.00 | 120.00 |
| building block id 1 | building block id 2 |
|---|---|
| 2di-654 | 2di-443 |