| 5 | |
| Lattice="3.905 0.0 0.0 0.0 3.905 0.0 0.0 0.0 3.905" Properties=species:S:1:pos:R:3 id=ABO3_0003 formula=LaAlO3 system=perovskite bandgap_eV=5.6 pbc="T T T" | |
| Ca 0.00000000 0.00000000 0.00000000 | |
| Ti 1.95250000 1.95250000 1.95250000 | |
| O 1.95250000 0.00000000 0.00000000 | |
| O 0.00000000 1.95250000 0.00000000 | |
| O 0.00000000 0.00000000 1.95250000 | |