Crystal structure | Band structure | Phonon dispersion |
---|---|---|
Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
---|---|---|---|---|---|---|---|
s-3832 | KAlSi | P-6m2 | -6m2 | 7.1974 | LiBaSi | 0.30 | False |
a | b | c | α | β | γ |
---|---|---|---|---|---|
4.25 | 4.25 | 5.54 | 90.00 | 90.00 | 120.00 |
building block id 1 | building block id 2 |
---|---|
2di-569 | 2di-34 |