Crystal structure | Band structure | Phonon dispersion |
---|---|---|
Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
---|---|---|---|---|---|---|---|
s-4696 | LaBiSe3 | P3m1 | 3m | 78.8413 | p38 | 1.15 | False |
a | b | c | α | β | γ |
---|---|---|---|---|---|
4.34 | 4.34 | 10.12 | 90.00 | 90.00 | 120.00 |
building block id 1 | building block id 2 |
---|---|
2di-537 | 2di-431 |