Crystal structure | Band structure | Phonon dispersion |
---|---|---|
Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
---|---|---|---|---|---|---|---|
s-4002 | Mn2Cu2Bi2S3Cl6 | P31m | 3m | 0.0000 | p45 | 1.10 | False |
a | b | c | α | β | γ |
---|---|---|---|---|---|
6.55 | 6.55 | 10.04 | 90.00 | 90.00 | 120.00 |
building block id 1 | building block id 2 |
---|---|
2di-694 | 2di-50 |