I6La6Ru2
I6La6Ru2 is a thermodynamically stable, semiconducting intermetallic compound that belongs to the broader family of platinum-group alloy catalysts.
About I6La6Ru2
I6La6Ru2 is a distinct semiconducting compound within the class of platinum-group alloy catalysts. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement that is of significant interest for fundamental research into complex intermetallic systems. Its unique electronic character differentiates it from more metallic counterparts in this category.
This material is recognized for its structural diversity, with multiple reported configurations across various databases. Its stability and semiconducting nature make it a compelling subject for studies focusing on the intersection of rare-earth chemistry and transition metal catalysis, providing a stable platform for exploring electronic properties in advanced materials.
Key Properties
Cross-validated computational properties for I6La6Ru2, 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 I6La6Ru2, 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. |
|---|---|---|---|---|---|
| P21/m (No. 11) | monoclinic | 0.10 | 0.0000 | -5.386 | 5.67 |
| No. 0 | unknown | — | — | — | 2.95 |
| — | — | — | — | — | 4.53 |
| P21/m (No. 11) | — | — | — | — | — |
Applications
Where I6La6Ru2 is used.
Frequently Asked Questions
Common questions about I6La6Ru2, answered from cross-validated data.
What is I6La6Ru2?
I6La6Ru2 is a thermodynamically stable, semiconducting intermetallic compound that belongs to the broader family of platinum-group alloy catalysts.
What is I6La6Ru2 used for?
What is the band gap of I6La6Ru2?
Is I6La6Ru2 a metal, semiconductor, or insulator?
Is I6La6Ru2 thermodynamically stable?
What is the crystal structure of I6La6Ru2?
What is the density of I6La6Ru2?
How many polymorphs of I6La6Ru2 are known?
What elements does I6La6Ru2 contain?
Where does the data for I6La6Ru2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike many of the more metallic or highly conductive members of the platinum-group alloy catalyst class, such as LaRh or Ga2Ru, I6La6Ru2 exhibits a distinct semiconducting electronic character. While it shares the fundamental classification of a platinum-group alloy, its specific composition and stability profile set it apart as a more complex, specialized structure compared to simpler binary phases like BaPd or 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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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