Crystal structure | Band structure | Phonon dispersion |
---|---|---|
Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
---|---|---|---|---|---|---|---|
s-5618 | LaPbS2I | P3m1 | 3m | 80.7895 | p38 | 2.17 | True |
a | b | c | α | β | γ |
---|---|---|---|---|---|
4.35 | 4.35 | 9.76 | 90.00 | 90.00 | 120.00 |
building block id 1 | building block id 2 |
---|---|
2di-602 | 2di-540 |