Crystal structure | Band structure | Phonon dispersion |
---|---|---|
Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
---|---|---|---|---|---|---|---|
s-3408 | BaCu2 | P6/mmm | 6/mmm | 29.3948 | AlB2 | 0.00 | False |
a | b | c | α | β | γ |
---|---|---|---|---|---|
4.41 | 4.41 | 4.45 | 90.00 | 90.00 | 120.00 |
building block id 1 | building block id 2 |
---|---|
2di-96 | 2di-12 |