| Formula | HY3 |
| Reduced formula | HY3 |
| Stoichiometry | AB3 |
| Number of species | 2 |
| Number of atoms | 4 |
| Unique ID | 10 |
| Unit cell area [Å2] | 11.100 |
| Surface Material | Y |
| Adsorbate | H |
| Reference molecule 1 | H2 |
| Adsorption energy with LDA [eV] | 0.393 |
| Adsorption energy with PBE [eV] | 0.504 |
| Adsorption energy with RPBE [eV] | 0.547 |
| Adsorption energy with BEEF-vdW [eV] | 0.533 |
| Adsorption energy with vdW-DF2 [eV] | 0.365 |
| Adsorption energy with mBEEF [eV] | 0.327 |
| Adsorption energy with mBEEF-vdW [eV] | 0.382 |
| Adsorption energy with EXX [eV] | 0.277 |
| RPA correlation adsorption energy extrapolated [eV] | 0.326 |
| Energy [eV] | -15.541 |
| Maximum force [eV/Å] | 0.250 |
| Total magnetic moment [μB] | 0.000 |