Crystal structure | Band structure | Phonon dispersion |
---|---|---|
Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
---|---|---|---|---|---|---|---|
s-5609 | ScAlS3 | R3m | 3m | 23.1660 | α-In2Se3 | 1.83 | True |
a | b | c | α | β | γ |
---|---|---|---|---|---|
3.69 | 3.69 | 26.82 | 90.00 | 90.00 | 120.00 |
building block id 1 | building block id 2 |
---|---|
2di-769 | 2di-539 |