PtRh
PtRh is a stable, metallic alloy of platinum and rhodium used primarily as a high-performance catalyst.
About PtRh
PtRh is a metallic alloy composed of platinum and rhodium, belonging to the class of platinum-group alloy catalysts. Its electronic structure is characterized by metallic behavior, lacking a band gap, which is typical for conductive noble metal systems. This compound is recognized for its thermodynamic stability, placing it near the convex hull and suggesting high potential for successful laboratory synthesis. The material is supported by a significant body of structural data across multiple databases, reflecting its importance in catalytic research. Its primary utility lies in high-temperature industrial processes where the synergy between platinum and rhodium provides exceptional durability and catalytic activity.
Key Properties
Cross-validated computational properties for PtRh, 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 PtRh. 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 PtRh, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.00 | 0.0193 | -37.822 | 17.00 |
| Cm (No. 8) | Monoclinic | — | — | — | 17.56 |
| P21/m (No. 11) | Monoclinic | — | — | — | 15.82 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 13.37 |
| Cmme (No. 67) | Orthorhombic | — | — | — | 18.45 |
| P4mm (No. 99) | Tetragonal | — | — | — | 18.16 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 13.55 |
| P4mm (No. 99) | Tetragonal | — | — | — | 16.60 |
| Cm (No. 8) | Monoclinic | — | — | — | 14.76 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 12.76 |
| Cmme (No. 67) | Orthorhombic | — | — | — | 16.45 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 13.46 |
Applications
Where PtRh is used.
Frequently Asked Questions
Common questions about PtRh, answered from cross-validated data.
What is PtRh?
PtRh is a stable, metallic alloy of platinum and rhodium used primarily as a high-performance catalyst.
What is PtRh used for?
What is the band gap of PtRh?
Is PtRh a metal, semiconductor, or insulator?
Is PtRh thermodynamically stable?
What is the crystal structure of PtRh?
What is the density of PtRh?
How many polymorphs of PtRh are known?
What elements does PtRh contain?
Where does the data for PtRh come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, PtRh stands out as a highly stable metallic system compared to more complex intermetallic counterparts like As2Pt or Ga2Ru. While many members of this class, such as LaRh or BaPd, exhibit distinct electronic properties based on their specific stoichiometry, PtRh maintains the classic metallic character expected of noble metal binary alloys, making it a reliable benchmark for catalytic performance in harsh environments.
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.
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