Crystal structure | Band structure | Phonon dispersion |
---|---|---|
Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
---|---|---|---|---|---|---|---|
s-4362 | ZnBiPSe | P3m1 | 3m | 73.1027 | p28 | 0.73 | False |
a | b | c | α | β | γ |
---|---|---|---|---|---|
4.08 | 4.08 | 7.15 | 90.00 | 90.00 | 120.00 |
building block id 1 | building block id 2 |
---|---|
2di-537 | 2di-81 |