| Formula | HSc3 |
| Reduced formula | HSc3 |
| Stoichiometry | AB3 |
| Number of species | 2 |
| Number of atoms | 4 |
| Unique ID | 1 |
| Unit cell area [Å2] | 9.238 |
| Surface Material | Sc |
| Adsorbate | H |
| Reference molecule 1 | H2 |
| Adsorption energy with LDA [eV] | 0.369 |
| Adsorption energy with PBE [eV] | 0.506 |
| Adsorption energy with RPBE [eV] | 0.569 |
| Adsorption energy with BEEF-vdW [eV] | 0.536 |
| Adsorption energy with vdW-DF2 [eV] | 0.367 |
| Adsorption energy with mBEEF [eV] | 0.376 |
| Adsorption energy with mBEEF-vdW [eV] | 0.416 |
| Adsorption energy with EXX [eV] | 0.251 |
| RPA correlation adsorption energy extrapolated [eV] | 0.386 |
| Energy [eV] | -15.328 |
| Maximum force [eV/Å] | 0.285 |
| Total magnetic moment [μB] | 0.000 |