HfRh
HfRh is a metallic hafnium-rhodium alloy that serves as a stable candidate for catalytic research.
About HfRh
HfRh is a metallic intermetallic compound composed of hafnium and rhodium. As a member of the platinum-group alloy catalyst class, it exhibits robust electronic properties characteristic of transition metal combinations that are often explored for their catalytic potential in chemical synthesis and energy conversion processes.
This compound is considered near-hull, indicating that it is thermodynamically favorable and likely synthesizable under standard laboratory conditions. Its significant structural data richness across multiple databases underscores its importance as a subject of ongoing research for advanced material design.
Key Properties
Cross-validated computational properties for HfRh, aggregated across 5 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of HfRh. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for HfRh, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0116 | -35.539 | 13.62 |
| Cm (No. 8) | Monoclinic | — | — | — | 10.74 |
| P3m1 (No. 156) | Trigonal | — | — | — | 16.83 |
| Cm (No. 8) | Monoclinic | — | — | — | 13.16 |
| P1 (No. 1) | Triclinic | — | — | — | 5.88 |
| P1 (No. 1) | Triclinic | — | — | — | 11.44 |
| P1 (No. 1) | Triclinic | — | — | — | 9.34 |
| C2/m (No. 12) | Monoclinic | — | — | — | 8.38 |
| C2/m (No. 12) | Monoclinic | — | — | — | 13.10 |
| C2/m (No. 12) | Monoclinic | — | — | — | 9.83 |
| P-1 (No. 2) | Triclinic | — | — | — | 12.65 |
| Cm (No. 8) | Monoclinic | — | — | — | 10.42 |
Applications
Where HfRh is used.
Frequently Asked Questions
Common questions about HfRh, answered from cross-validated data.
What is HfRh?
HfRh is a metallic hafnium-rhodium alloy that serves as a stable candidate for catalytic research.
What is HfRh used for?
What is the band gap of HfRh?
Is HfRh a metal, semiconductor, or insulator?
Is HfRh thermodynamically stable?
What is the crystal structure of HfRh?
What is the density of HfRh?
How many polymorphs of HfRh are known?
What elements does HfRh contain?
Where does the data for HfRh come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloy catalysts, HfRh occupies a distinct niche compared to siblings like LaRh or GeRu. While many of these alloys are engineered for specific surface reactivity, HfRh stands out due to its metallic nature and structural stability, providing a different chemical environment for catalytic applications than the more complex or varying stoichiometry phases found in the broader class.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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