InRh2Ta
InRh2Ta is a semiconducting ternary intermetallic compound composed of indium, rhodium, and tantalum that serves as a subject for catalytic materials research.
About InRh2Ta
InRh2Ta is a complex ternary intermetallic compound classified within the platinum-group alloy catalysts. Characterized by its semiconducting electronic nature, this material represents a specialized structural arrangement of indium, rhodium, and tantalum atoms. Its existence is documented across multiple structural databases, highlighting its interest in fundamental materials research.
Because it resides above the thermodynamic hull, InRh2Ta is considered a metastable phase. Its unique composition makes it a subject of study for researchers seeking to understand how transition metal alloys can be tuned for catalytic applications despite their inherent energetic instability compared to more common ground-state phases.
Key Properties
Cross-validated computational properties for InRh2Ta, 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.
Reported Structures
Lowest-energy structures reported for InRh2Ta, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.62 | 2.7324 | -27.636 | 0.99 |
| — | — | — | — | — | 12.53 |
| Pmmm (No. 47) | — | — | — | — | — |
Applications
Where InRh2Ta is used.
Frequently Asked Questions
Common questions about InRh2Ta, answered from cross-validated data.
What is InRh2Ta?
InRh2Ta is a semiconducting ternary intermetallic compound composed of indium, rhodium, and tantalum that serves as a subject for catalytic materials research.
What is InRh2Ta used for?
What is the band gap of InRh2Ta?
Is InRh2Ta a metal, semiconductor, or insulator?
Is InRh2Ta thermodynamically stable?
What is the crystal structure of InRh2Ta?
What is the density of InRh2Ta?
How many polymorphs of InRh2Ta are known?
What elements does InRh2Ta contain?
Where does the data for InRh2Ta come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloy catalysts, InRh2Ta occupies a distinct niche compared to more stable or metallic counterparts like LaRh or GeRu. While many members of this class exhibit robust metallic conductivity, InRh2Ta is notable for its semiconducting behavior, setting it apart from the typical electronic profiles found in simpler binary phases like BaPd or As2Pt.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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