Crystal structure | Band structure | Phonon dispersion |
---|---|---|
Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
---|---|---|---|---|---|---|---|
s-3757 | ScGaO3 | R3m | 3m | 35.5343 | α-In2Se3 | 2.89 | False |
a | b | c | α | β | γ |
---|---|---|---|---|---|
3.31 | 3.31 | 17.98 | 90.00 | 90.00 | 120.00 |
building block id 1 | building block id 2 |
---|---|
2di-645 | 2di-29 |