Crystal structure | Band structure | Phonon dispersion |
---|---|---|
Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
---|---|---|---|---|---|---|---|
s-5581 | MnCuBiSe3 | R3m | 3m | 5.7335 | TaS2(6R) | 0.00 | True |
a | b | c | α | β | γ |
---|---|---|---|---|---|
4.11 | 4.11 | 29.64 | 90.00 | 90.00 | 120.00 |
building block id 1 | building block id 2 |
---|---|
2di-675 | 2di-537 |