Crystal structure | Band structure | Phonon dispersion |
---|---|---|
Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
---|---|---|---|---|---|---|---|
s-5362 | ScInSe2S | R3m | 3m | 88.5935 | α-In2Se3 | 0.44 | True |
a | b | c | α | β | γ |
---|---|---|---|---|---|
3.95 | 3.95 | 28.19 | 90.00 | 90.00 | 120.00 |
building block id 1 | building block id 2 |
---|---|
2di-604 | 2di-506 |