Crystal structure | Band structure | Phonon dispersion |
---|---|---|
Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
---|---|---|---|---|---|---|---|
s-5330 | Na2CuIO6 | P312 | 32 | 0.0000 | p57 | 0.42 | False |
a | b | c | α | β | γ |
---|---|---|---|---|---|
5.19 | 5.19 | 5.42 | 90.00 | 90.00 | 120.00 |
building block id 1 | building block id 2 |
---|---|
2di-779 | 2di-500 |