Crystal structure | Band structure | Phonon dispersion |
---|---|---|
Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
---|---|---|---|---|---|---|---|
s-4519 | Ba2AgPF2 | R3m | 3m | 63.0832 | TaS2(6R) | 0.47 | False |
a | b | c | α | β | γ |
---|---|---|---|---|---|
4.45 | 4.45 | 25.14 | 90.00 | 90.00 | 120.00 |
building block id 1 | building block id 2 |
---|---|
2di-446 | 2di-99 |