| Formula | HCr3 |
| Reduced formula | HCr3 |
| Stoichiometry | AB3 |
| Number of species | 2 |
| Number of atoms | 4 |
| Unique ID | 4 |
| Unit cell area [Å2] | 5.687 |
| Surface Material | Cr |
| Adsorbate | H |
| Reference molecule 1 | H2 |
| Adsorption energy with LDA [eV] | 0.281 |
| Adsorption energy with PBE [eV] | 0.568 |
| Adsorption energy with RPBE [eV] | 0.698 |
| Adsorption energy with BEEF-vdW [eV] | 0.690 |
| Adsorption energy with vdW-DF2 [eV] | 0.668 |
| Adsorption energy with mBEEF [eV] | 0.563 |
| Adsorption energy with mBEEF-vdW [eV] | 0.439 |
| Adsorption energy with EXX [eV] | 0.635 |
| RPA correlation adsorption energy extrapolated [eV] | 0.156 |
| Energy [eV] | -27.955 |
| Maximum force [eV/Å] | 0.771 |
| Total magnetic moment [μB] | 0.000 |