| Formula | HCu3 |
| Reduced formula | HCu3 |
| Stoichiometry | AB3 |
| Number of species | 2 |
| Number of atoms | 4 |
| Unique ID | 9 |
| Unit cell area [Å2] | 5.662 |
| Surface Material | Cu |
| Adsorbate | H |
| Reference molecule 1 | H2 |
| Adsorption energy with LDA [eV] | 0.421 |
| Adsorption energy with PBE [eV] | 0.769 |
| Adsorption energy with RPBE [eV] | 0.925 |
| Adsorption energy with BEEF-vdW [eV] | 0.999 |
| Adsorption energy with vdW-DF2 [eV] | 1.000 |
| Adsorption energy with mBEEF [eV] | 0.833 |
| Adsorption energy with mBEEF-vdW [eV] | 0.722 |
| Adsorption energy with EXX [eV] | 1.735 |
| RPA correlation adsorption energy extrapolated [eV] | -1.006 |
| Energy [eV] | -12.733 |
| Maximum force [eV/Å] | 0.150 |
| Total magnetic moment [μB] | 0.000 |