Crystal structure | Band structure | Phonon dispersion |
---|---|---|
Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
---|---|---|---|---|---|---|---|
s-5366 | YInS3 | R3m | 3m | 23.1581 | α-In2Se3 | 0.92 | True |
a | b | c | α | β | γ |
---|---|---|---|---|---|
4.02 | 4.02 | 27.42 | 90.00 | 90.00 | 120.00 |
building block id 1 | building block id 2 |
---|---|
2di-632 | 2di-506 |