In2PdRh
In2PdRh is a metastable, semiconducting intermetallic alloy composed of indium, palladium, and rhodium, primarily investigated for its potential in catalytic research.
About In2PdRh
In2PdRh is a specialized intermetallic compound categorized within the platinum-group alloy catalyst class. As a semiconducting material, it represents a unique electronic configuration that distinguishes it from the typically metallic nature of many related noble metal alloys. Its existence in multiple reported structures highlights ongoing interest in its potential for catalytic applications despite its thermodynamic status as an unstable phase relative to the ground state.
Because it resides above the stability hull, In2PdRh is a metastable candidate that requires precise synthesis conditions to stabilize. Its role as a semiconductor suggests potential utility in niche catalytic processes where electronic band structure plays a critical role in surface reactivity and charge transfer mechanisms.
Key Properties
Cross-validated computational properties for In2PdRh, 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 In2PdRh. 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 In2PdRh, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0314 | -0.446 | — |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1544 | -0.261 | — |
| — | — | 0.00 | 0.2635 | -0.213 | — |
| — | — | 0.00 | 0.3373 | -0.140 | — |
| Immm (No. 71) | orthorhombic | 0.46 | 1.9744 | -21.619 | 0.78 |
| P4/mmm (No. 123) | tetragonal | — | — | 0.002 | — |
Applications
Where In2PdRh is used.
Frequently Asked Questions
Common questions about In2PdRh, answered from cross-validated data.
What is In2PdRh?
In2PdRh is a metastable, semiconducting intermetallic alloy composed of indium, palladium, and rhodium, primarily investigated for its potential in catalytic research.
What is In2PdRh used for?
What is the band gap of In2PdRh?
Is In2PdRh a metal, semiconductor, or insulator?
Is In2PdRh thermodynamically stable?
What is the crystal structure of In2PdRh?
What is the density of In2PdRh?
How many polymorphs of In2PdRh are known?
What elements does In2PdRh contain?
Where does the data for In2PdRh come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike more robust and thermodynamically stable members of the platinum-group alloy class such as IrSe2 or GeRu, In2PdRh is characterized by its metastability. While many siblings in this group are primarily metallic, In2PdRh stands out for its semiconducting electronic character, positioning it as a distinct alternative to the more conventional metallic catalysts like BaPd or LaRh.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)
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