Crystal structure | Band structure | Phonon dispersion |
---|---|---|
Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
---|---|---|---|---|---|---|---|
s-3298 | CaYAl2Si2 | R3m | 3m | 78.5920 | TaS2(6R) | 0.00 | False |
a | b | c | α | β | γ |
---|---|---|---|---|---|
4.14 | 4.14 | 27.25 | 90.00 | 90.00 | 120.00 |
building block id 1 | building block id 2 |
---|---|
2di-453 | 2di-5 |