PrRh
PrRh is a thermodynamically stable, semiconducting intermetallic compound composed of praseodymium and rhodium.
About PrRh
PrRh is a distinct member of the platinum-group alloy catalyst family, characterized by its thermodynamically stable nature on the convex hull. As a semiconducting intermetallic compound, it offers unique electronic properties that distinguish it from purely metallic alloys within this class.
Its structural diversity is highlighted by multiple reported configurations across major materials databases. This stability and electronic behavior make it a compelling subject for researchers investigating specialized catalytic surfaces and electronic materials.
Key Properties
Cross-validated computational properties for PrRh, 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.
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 PrRh. 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 PrRh, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 0.18 | 0.0000 | -6.720 | 8.70 |
| F-43m (No. 216) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.93 |
| Cmcm (No. 63) | — | — | — | — | — |
Applications
Where PrRh is used.
Frequently Asked Questions
Common questions about PrRh, answered from cross-validated data.
What is PrRh?
PrRh is a thermodynamically stable, semiconducting intermetallic compound composed of praseodymium and rhodium.
What is PrRh used for?
What is the band gap of PrRh?
Is PrRh a metal, semiconductor, or insulator?
Is PrRh thermodynamically stable?
What is the crystal structure of PrRh?
What is the density of PrRh?
How many polymorphs of PrRh are known?
What elements does PrRh contain?
Where does the data for PrRh come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse group of platinum-group alloys, PrRh stands out for its semiconducting nature, contrasting with the more metallic behavior often seen in siblings like LaRh or the various ruthenium-based compounds such as Ga2Ru and GeRu.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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