| Formula | HAu3 |
| Reduced formula | HAu3 |
| Stoichiometry | AB3 |
| Number of species | 2 |
| Number of atoms | 4 |
| Unique ID | 25 |
| Unit cell area [Å2] | 7.533 |
| Surface Material | Au |
| Adsorbate | H |
| Reference molecule 1 | H2 |
| Adsorption energy with LDA [eV] | 0.206 |
| Adsorption energy with PBE [eV] | 0.597 |
| Adsorption energy with RPBE [eV] | 0.757 |
| Adsorption energy with BEEF-vdW [eV] | 0.856 |
| Adsorption energy with vdW-DF2 [eV] | 0.882 |
| Adsorption energy with mBEEF [eV] | 0.555 |
| Adsorption energy with mBEEF-vdW [eV] | 0.448 |
| Adsorption energy with EXX [eV] | 1.435 |
| RPA correlation adsorption energy extrapolated [eV] | -0.816 |
| Energy [eV] | -11.603 |
| Maximum force [eV/Å] | 0.224 |
| Total magnetic moment [μB] | 0.000 |