| Crystal structure | Band structure | Phonon dispersion |
|---|---|---|
| |
|
| Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
|---|---|---|---|---|---|---|---|
| s-115 | CaMnCuBiSe2O2 | Pmm2 | mm2 | 56.4339 | p2 | 0.34 | False |
| a | b | c | α | β | γ |
|---|---|---|---|---|---|
| 4.03 | 4.06 | 9.53 | 90.00 | 90.00 | 90.00 |
| building block id 1 | building block id 2 |
|---|---|
| 2di-233 | 2di-104 |