Ru2Sc1Si1
Ru2Sc1Si1 is a semimetallic ternary alloy containing ruthenium, scandium, and silicon that is currently studied for its potential in advanced catalytic processes.
About Ru2Sc1Si1
Ru2Sc1Si1 is a complex ternary alloy within the platinum-group catalyst class, characterized by a near-zero-gap electronic structure that suggests semimetallic behavior. Its electronic configuration makes it a subject of interest for researchers investigating the interplay between transition metals and silicon in catalytic systems.
Despite its structural complexity and the presence of numerous reported configurations, the compound is identified as being above the thermodynamic hull. This indicates that it exists in a metastable state, requiring specific synthesis conditions to stabilize its unique atomic arrangement for potential applications.
Key Properties
Cross-validated computational properties for Ru2Sc1Si1, 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 Ru2Sc1Si1, 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 | 0.05 | 3.3933 | -4.860 | 0.58 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
Applications
Where Ru2Sc1Si1 is used.
Frequently Asked Questions
Common questions about Ru2Sc1Si1, answered from cross-validated data.
What is Ru2Sc1Si1?
Ru2Sc1Si1 is a semimetallic ternary alloy containing ruthenium, scandium, and silicon that is currently studied for its potential in advanced catalytic processes.
What is Ru2Sc1Si1 used for?
What is the band gap of Ru2Sc1Si1?
Is Ru2Sc1Si1 a metal, semiconductor, or insulator?
Is Ru2Sc1Si1 thermodynamically stable?
What is the crystal structure of Ru2Sc1Si1?
What is the density of Ru2Sc1Si1?
How many polymorphs of Ru2Sc1Si1 are known?
What elements does Ru2Sc1Si1 contain?
Where does the data for Ru2Sc1Si1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, Ru2Sc1Si1 stands out for its ternary composition compared to binary counterparts like GeRu or P3Ru. While many members of this class exhibit robust stability, this compound is distinguished by its metastable nature, placing it as a specialized, high-energy candidate for fundamental studies in catalyst design.
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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