| Formula | HRh3 |
| Reduced formula | HRh3 |
| Stoichiometry | AB3 |
| Number of species | 2 |
| Number of atoms | 4 |
| Unique ID | 15 |
| Unit cell area [Å2] | 6.415 |
| Surface Material | Rh |
| Adsorbate | H |
| Reference molecule 1 | H2 |
| Adsorption energy with LDA [eV] | -0.446 |
| Adsorption energy with PBE [eV] | -0.077 |
| Adsorption energy with RPBE [eV] | 0.077 |
| Adsorption energy with BEEF-vdW [eV] | 0.122 |
| Adsorption energy with vdW-DF2 [eV] | 0.184 |
| Adsorption energy with mBEEF [eV] | -0.078 |
| Adsorption energy with mBEEF-vdW [eV] | -0.179 |
| Adsorption energy with EXX [eV] | -0.309 |
| RPA correlation adsorption energy extrapolated [eV] | 0.393 |
| Energy [eV] | -23.759 |
| Maximum force [eV/Å] | 0.514 |
| Total magnetic moment [μB] | 0.000 |