Crystal structure | Band structure | Phonon dispersion |
---|---|---|
Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
---|---|---|---|---|---|---|---|
s-4749 | LiInS2 | P3m1 | 3m | 65.2329 | p28 | 2.24 | False |
a | b | c | α | β | γ |
---|---|---|---|---|---|
3.83 | 3.83 | 6.57 | 90.00 | 90.00 | 120.00 |
building block id 1 | building block id 2 |
---|---|
2di-506 | 2di-438 |