Crystal structure | Band structure | Phonon dispersion |
---|---|---|
Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
---|---|---|---|---|---|---|---|
s-4827 | Cu2Bi2Se2O2 | R-3m | -3m | 54.1526 | NdZnPO | 0.33 | False |
a | b | c | α | β | γ |
---|---|---|---|---|---|
4.01 | 4.01 | 31.77 | 90.00 | 90.00 | 120.00 |
building block id 1 | building block id 2 |
---|---|
2di-580 | 2di-449 |