| Crystal structure | Band structure | Phonon dispersion |
|---|---|---|
| |
|
| Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
|---|---|---|---|---|---|---|---|
| s-1588 | BaCa2Tl | P4/mmm | 4/mmm | 24.3795 | AlRe | 0.00 | False |
| a | b | c | α | β | γ |
|---|---|---|---|---|---|
| 3.98 | 3.98 | 10.24 | 90.00 | 90.00 | 90.00 |
| building block id 1 | building block id 2 |
|---|---|
| 2di-206 | 2di-181 |