Crystal structure | Band structure | Phonon dispersion |
---|---|---|
Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
---|---|---|---|---|---|---|---|
s-3391 | Ba2HgSbP | R3m | 3m | 28.4841 | p24 | 0.00 | False |
a | b | c | α | β | γ |
---|---|---|---|---|---|
4.81 | 4.81 | 27.38 | 90.00 | 90.00 | 120.00 |
building block id 1 | building block id 2 |
---|---|
2di-475 | 2di-11 |