| Crystal structure | Band structure | Phonon dispersion |
|---|---|---|
| |
|
| Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
|---|---|---|---|---|---|---|---|
| s-118 | MnCuBiPbSe2O2 | Pmm2 | mm2 | 86.6030 | p2 | 0.16 | False |
| a | b | c | α | β | γ |
|---|---|---|---|---|---|
| 4.06 | 4.07 | 9.80 | 90.00 | 90.00 | 90.00 |
| building block id 1 | building block id 2 |
|---|---|
| 2di-258 | 2di-104 |