HRh
Rhodium hydride is a chemical compound consisting of rhodium and hydrogen. It is primarily studied in the context of metal-hydrogen interactions and catalytic processes involving transition metals.
HRh
Overview
Key Properties
Cross-validated computational properties for HRh, aggregated across 4 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Metallic / not reported
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
0.051 eV/atom
Best (lowest) across sources
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
Metastable
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
84
4 databases, 15 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for HRh, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0508 | -13.745 | 10.59 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.39 |
| P21/m (No. 11) | Monoclinic | — | — | — | 9.47 |
| P21/m (No. 11) | Monoclinic | — | — | — | 8.54 |
| P2/m (No. 10) | Monoclinic | — | — | — | 2.65 |
| P21/m (No. 11) | Monoclinic | — | — | — | 9.47 |
| P2/m (No. 10) | Monoclinic | — | — | — | 2.25 |
| P2/m (No. 10) | Monoclinic | — | — | — | 2.63 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.80 |
| Pm (No. 6) | Monoclinic | — | — | — | 8.56 |
| Pm (No. 6) | Monoclinic | — | — | — | 9.66 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.86 |
Uses
Applications
Where HRh is used.
Catalysis researchMaterials science studies
Reference
Frequently Asked Questions
Common questions about HRh, answered from cross-validated data.
What is HRh?
Rhodium hydride is a chemical compound consisting of rhodium and hydrogen. It is primarily studied in the context of metal-hydrogen interactions and catalytic processes involving transition metals.
More questions
What is HRh used for?
HRh is used in catalysis research and materials science studies.
What is the band gap of HRh?
HRh is computed to be metallic (no band gap) in the reported DFT structures.
Is HRh a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is HRh thermodynamically stable?
HRh has a lowest energy above hull of 0.051 eV/atom (metastable).
What is the crystal structure of HRh?
The lowest-energy reported polymorph of HRh is cubic symmetry, space group Fm-3m (No. 225).
What is the density of HRh?
The computed density of the ground-state structure of HRh is 10.59 g/cm³.
How many polymorphs of HRh are known?
84 structures of HRh are reported across 4 databases, spanning 15 distinct space groups.
What elements does HRh contain?
HRh contains H and Rh (2 elements).
Where does the data for HRh come from?
HRh data is cross-referenced from materials_project, mpaloe, nomad.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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