In2IrRh
In2IrRh is a semimetallic intermetallic alloy composed of indium, iridium, and rhodium, primarily studied for its electronic properties and potential catalytic applications.
About In2IrRh
In2IrRh is a complex intermetallic compound belonging to the class of platinum-group alloy catalysts. As a near-zero-gap semimetallic material, it exhibits unique electronic properties that bridge the behavior of metals and semiconductors, making it a subject of interest for fundamental studies in condensed matter physics and catalysis science. Despite its position above the thermodynamic hull, which suggests potential metastability, the compound is represented by multiple reported structures across research databases. Its synthesis and characterization contribute to the broader understanding of how noble metal combinations influence electronic structure and chemical reactivity.
Key Properties
Cross-validated computational properties for In2IrRh, aggregated across 3 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 In2IrRh. 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 In2IrRh, 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 | 0.0382 | -0.244 | — |
| — | — | 0.00 | 0.4297 | 0.147 | — |
| Immm (No. 71) | orthorhombic | 0.05 | 2.4242 | -28.336 | 1.25 |
| Immm (No. 71) | orthorhombic | 0.00 | 2.6251 | 2.391 | — |
Applications
Where In2IrRh is used.
Frequently Asked Questions
Common questions about In2IrRh, answered from cross-validated data.
What is In2IrRh?
In2IrRh is a semimetallic intermetallic alloy composed of indium, iridium, and rhodium, primarily studied for its electronic properties and potential catalytic applications.
What is In2IrRh used for?
What is the band gap of In2IrRh?
Is In2IrRh a metal, semiconductor, or insulator?
Is In2IrRh thermodynamically stable?
What is the crystal structure of In2IrRh?
What is the density of In2IrRh?
How many polymorphs of In2IrRh are known?
What elements does In2IrRh contain?
Where does the data for In2IrRh come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloys, In2IrRh occupies a distinct niche compared to more stable or common siblings like LaRh or GeRu. While many members of this class are investigated for their robust catalytic performance, In2IrRh is notable for its semimetallic character and structural diversity, standing out as a specialized candidate for research into non-traditional alloy configurations.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
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