Crystal structure | Band structure | Phonon dispersion |
---|---|---|
Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
---|---|---|---|---|---|---|---|
s-5597 | ZrAlS3 | R3m | 3m | 50.0789 | α-In2Se3 | 0.00 | True |
a | b | c | α | β | γ |
---|---|---|---|---|---|
3.63 | 3.63 | 27.37 | 90.00 | 90.00 | 120.00 |
building block id 1 | building block id 2 |
---|---|
2di-565 | 2di-539 |