| Formula | HTi3 |
| Reduced formula | HTi3 |
| Stoichiometry | AB3 |
| Number of species | 2 |
| Number of atoms | 4 |
| Unique ID | 2 |
| Unit cell area [Å2] | 7.311 |
| Surface Material | Ti |
| Adsorbate | H |
| Reference molecule 1 | H2 |
| Adsorption energy with LDA [eV] | 0.357 |
| Adsorption energy with PBE [eV] | 0.545 |
| Adsorption energy with RPBE [eV] | 0.632 |
| Adsorption energy with BEEF-vdW [eV] | 0.577 |
| Adsorption energy with vdW-DF2 [eV] | 0.518 |
| Adsorption energy with mBEEF [eV] | 0.471 |
| Adsorption energy with mBEEF-vdW [eV] | 0.423 |
| Adsorption energy with EXX [eV] | 0.159 |
| RPA correlation adsorption energy extrapolated [eV] | 0.442 |
| Energy [eV] | -20.993 |
| Maximum force [eV/Å] | 1.176 |
| Total magnetic moment [μB] | 0.000 |