Crystal structure | Band structure | Phonon dispersion |
---|---|---|
Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
---|---|---|---|---|---|---|---|
s-5365 | CrInSe2S | P3m1 | 3m | 71.6393 | p37 | 0.39 | True |
a | b | c | α | β | γ |
---|---|---|---|---|---|
3.81 | 3.81 | 9.20 | 90.00 | 90.00 | 120.00 |
building block id 1 | building block id 2 |
---|---|
2di-624 | 2di-506 |