Crystal structure | Band structure | Phonon dispersion |
---|---|---|
Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
---|---|---|---|---|---|---|---|
s-5599 | AlCrSe2S | P3m1 | 3m | 23.1761 | p39 | 0.71 | True |
a | b | c | α | β | γ |
---|---|---|---|---|---|
3.66 | 3.66 | 9.09 | 90.00 | 90.00 | 120.00 |
building block id 1 | building block id 2 |
---|---|
2di-624 | 2di-539 |