Crystal structure | Band structure | Phonon dispersion |
---|---|---|
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Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
---|---|---|---|---|---|---|---|
s-4798 | K2Nb3S6 | P-62m | -6m2 | 0.0000 | p51 | 0.00 | False |
a | b | c | α | β | γ |
---|---|---|---|---|---|
5.95 | 5.95 | 7.89 | 90.00 | 90.00 | 120.00 |
building block id 1 | building block id 2 |
---|---|
2di-740 | 2di-443 |