InRu3
InRu3 is a metallic intermetallic compound containing indium and ruthenium that is studied for its role in the class of platinum-group alloy catalysts.
About InRu3
InRu3 is a metallic intermetallic compound composed of indium and ruthenium. As a member of the platinum-group alloy catalyst class, it exhibits the characteristic electronic behavior of a conductor, lacking a band gap and reflecting its metallic nature. Its structural complexity is evidenced by numerous reported configurations across multiple databases. Despite its potential utility in catalytic processes, it is characterized as thermodynamically unstable, existing above the convex hull. This status suggests that while it can be synthesized and studied, it represents a metastable phase that requires specific conditions to maintain its structural integrity. Its research value lies in understanding the interplay between indium and noble metals in catalytic environments.
Key Properties
Cross-validated computational properties for InRu3, 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.
Reported Structures
Lowest-energy structures reported for InRu3, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.3565 | -24.435 | 11.16 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 11.31 |
| P21/m (No. 11) | Monoclinic | — | — | — | 10.69 |
| P21/m (No. 11) | Monoclinic | — | — | — | 9.93 |
| Pm (No. 6) | Monoclinic | — | — | — | 6.83 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 7.85 |
| P21/m (No. 11) | Monoclinic | — | — | — | 7.40 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 12.97 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 8.23 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 11.21 |
| P-1 (No. 2) | Triclinic | — | — | — | 8.86 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 10.75 |
Applications
Where InRu3 is used.
Frequently Asked Questions
Common questions about InRu3, answered from cross-validated data.
What is InRu3?
InRu3 is a metallic intermetallic compound containing indium and ruthenium that is studied for its role in the class of platinum-group alloy catalysts.
What is InRu3 used for?
What is the band gap of InRu3?
Is InRu3 a metal, semiconductor, or insulator?
Is InRu3 thermodynamically stable?
What is the crystal structure of InRu3?
What is the density of InRu3?
How many polymorphs of InRu3 are known?
What elements does InRu3 contain?
Where does the data for InRu3 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, InRu3 stands out as a structurally complex, metastable phase compared to more thermodynamically robust members like GeRu or Ga2Ru. While many of its siblings, such as As2Pt or IrSe2, are frequently investigated for their stable catalytic surfaces, InRu3 offers a unique case study in the formation of intermetallic phases that exist outside the ground-state energy landscape, providing insights into the limits of ruthenium-based alloy synthesis.
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.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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