Crystal structure | Band structure | Phonon dispersion |
---|---|---|
Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
---|---|---|---|---|---|---|---|
s-2056 | BaTiO2 | P4/mmm | 4/mmm | 94.4680 | LaNiO2 | 0.00 | False |
a | b | c | α | β | γ |
---|---|---|---|---|---|
4.02 | 4.02 | 4.05 | 90.00 | 90.00 | 90.00 |
building block id 1 | building block id 2 |
---|---|
2di-388 | 2di-206 |