Crystal structure | Band structure | Phonon dispersion |
---|---|---|
Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
---|---|---|---|---|---|---|---|
s-1546 | CsLaF4 | P4/mmm | 4/mmm | 0.0000 | p7 | 5.85 | False |
a | b | c | α | β | γ |
---|---|---|---|---|---|
4.14 | 4.14 | 7.06 | 90.00 | 90.00 | 90.00 |
building block id 1 | building block id 2 |
---|---|
2di-369 | 2di-178 |