Crystal structure | Band structure | Phonon dispersion |
---|---|---|
Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
---|---|---|---|---|---|---|---|
s-4822 | Ba2Cd2P2F2 | R-3m | -3m | 17.7514 | NdZnPO | 1.09 | False |
a | b | c | α | β | γ |
---|---|---|---|---|---|
4.44 | 4.44 | 34.05 | 90.00 | 90.00 | 120.00 |
building block id 1 | building block id 2 |
---|---|
2di-796 | 2di-446 |