Crystal structure | Band structure | Phonon dispersion |
---|---|---|
Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
---|---|---|---|---|---|---|---|
s-3396 | BaC6 | P6/mmm | 6/mmm | 4.4502 | p32 | 0.00 | False |
a | b | c | α | β | γ |
---|---|---|---|---|---|
4.33 | 4.33 | 5.46 | 90.00 | 90.00 | 120.00 |
building block id 1 | building block id 2 |
---|---|
2di-53 | 2di-12 |