Ru2Si1Zr1
Ru2Si1Zr1 is a stable, semiconducting ternary alloy composed of ruthenium, silicon, and zirconium used in advanced catalyst development.
About Ru2Si1Zr1
Ru2Si1Zr1 is a distinct member of the platinum-group alloy family, characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement that is highly favorable for fundamental materials research.
This compound is of significant interest in the development of specialized catalysts where precise control over electronic properties is required. Its unique composition of ruthenium, silicon, and zirconium allows it to bridge the gap between traditional metallic alloys and more complex semiconductor materials.
Key Properties
Cross-validated computational properties for Ru2Si1Zr1, aggregated across 2 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 Ru2Si1Zr1, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.24 | 0.0000 | -21.392 | 9.04 |
| Immm (No. 71) | orthorhombic | 0.00 | 3.6333 | -17.758 | 0.70 |
| I-4m2 (No. 119) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
Applications
Where Ru2Si1Zr1 is used.
Frequently Asked Questions
Common questions about Ru2Si1Zr1, answered from cross-validated data.
What is Ru2Si1Zr1?
Ru2Si1Zr1 is a stable, semiconducting ternary alloy composed of ruthenium, silicon, and zirconium used in advanced catalyst development.
What is Ru2Si1Zr1 used for?
What is the band gap of Ru2Si1Zr1?
Is Ru2Si1Zr1 a metal, semiconductor, or insulator?
Is Ru2Si1Zr1 thermodynamically stable?
What is the crystal structure of Ru2Si1Zr1?
What is the density of Ru2Si1Zr1?
How many polymorphs of Ru2Si1Zr1 are known?
What elements does Ru2Si1Zr1 contain?
Where does the data for Ru2Si1Zr1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse class of platinum-group alloys, Ru2Si1Zr1 stands out due to its specific ternary stoichiometry compared to binary counterparts like GeRu or Ga2Ru. While many members of this class exhibit metallic behavior, the semiconducting nature of this compound offers a unique electronic profile that distinguishes it from more common metallic phases like LaRh or BaPd.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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