Crystal structure | Band structure | Phonon dispersion |
---|---|---|
Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
---|---|---|---|---|---|---|---|
s-3569 | CaSc2C | P-3m1 | -3m | 50.3733 | TlCdS2 | 0.00 | False |
a | b | c | α | β | γ |
---|---|---|---|---|---|
3.43 | 3.43 | 8.75 | 90.00 | 90.00 | 120.00 |
building block id 1 | building block id 2 |
---|---|
2di-439 | 2di-19 |