Crystal structure | Band structure | Phonon dispersion |
---|---|---|
Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
---|---|---|---|---|---|---|---|
s-2162 | Ca2Cu2Se2F2 | P4/nmm | 4/mmm | 21.2797 | ZrCuSiAs | 1.27 | False |
a | b | c | α | β | γ |
---|---|---|---|---|---|
3.92 | 3.92 | 8.70 | 90.00 | 90.00 | 90.00 |
building block id 1 | building block id 2 |
---|---|
2di-271 | 2di-219 |