Crystal structure | Band structure | Phonon dispersion |
---|---|---|
Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
---|---|---|---|---|---|---|---|
s-3816 | KCdP | P-6m2 | -6m2 | 0.0000 | LiBaSi | 0.12 | False |
a | b | c | α | β | γ |
---|---|---|---|---|---|
4.42 | 4.42 | 5.19 | 90.00 | 90.00 | 120.00 |
building block id 1 | building block id 2 |
---|---|
2di-464 | 2di-34 |