| Crystal structure | Band structure | Phonon dispersion |
|---|---|---|
| |
|
| Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
|---|---|---|---|---|---|---|---|
| s-5401 | Cs2Pt4S6 | R-3m | -3m | 0.0000 | K2Pt4Se6 | 1.32 | False |
| a | b | c | α | β | γ |
|---|---|---|---|---|---|
| 7.21 | 7.21 | 21.48 | 90.00 | 90.00 | 120.00 |
| building block id 1 | building block id 2 |
|---|---|
| 2di-578 | 2di-516 |