Crystal structure | Band structure | Phonon dispersion |
---|---|---|
Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
---|---|---|---|---|---|---|---|
s-5324 | Na2ZnC2O6 | R-3 | -3 | 1.2806 | K2Ca(CO3)2 | 3.52 | False |
a | b | c | α | β | γ |
---|---|---|---|---|---|
4.99 | 4.99 | 16.71 | 90.00 | 90.00 | 120.00 |
building block id 1 | building block id 2 |
---|---|
2di-719 | 2di-500 |