| Formula | Cu4Li4O4 |
| Reduced formula | CuLiO |
| Stoichiometry | ABC |
| Number of species | 3 |
| Number of atoms | 12 |
| Unique ID | 20 |
| Unit cell volume [Å3] | 131.683 |
| Direct band gap (GLLB-SC) [eV] | 3.277 |
| Indirect band gap (GLLB-SC) [eV] | 3.029 |
| Band gap (PBE) [eV] | 1.941 |
| Crystal system | Tetragonal |
| ICSD number | 282 |
| Derivative discontinuity (GLLB-SC) [eV] | 0.848 |
| Number of species | 3 |
| Space group | 119 |
| Defect tolerant | No |
| Magnetic | No |