SiRu
SiRu is a stable, semiconducting ruthenium silicide utilized in the development of advanced materials for energy storage.
About SiRu
SiRu is a semiconducting intermetallic compound composed of ruthenium and silicon. As a thermodynamically stable phase located on the convex hull, it represents a robust structural configuration within the broader family of silicon-based materials.
This compound is of significant interest in materials science due to its well-defined crystalline nature and structural integrity. It serves as a valuable subject for investigating the electrochemical behavior of metal silicides in next-generation anode architectures.
Key Properties
Cross-validated computational properties for SiRu, 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 SiRu, 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. |
|---|---|---|---|---|---|
| P213 (No. 198) | cubic | 0.23 | 0.0000 | -17.754 | 8.22 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0077 | -17.746 | 8.65 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.75 |
| P213 (No. 198) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 7.11 |
| Pm-3m (No. 221) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 7.61 |
| P1 (No. 1) | Triclinic | — | — | — | 7.27 |
| R3m (No. 160) | Trigonal | — | — | — | 6.94 |
| Cm (No. 8) | Monoclinic | — | — | — | 9.28 |
| R-3m (No. 166) | Trigonal | — | — | — | 6.33 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.92 |
Applications
Where SiRu is used.
Frequently Asked Questions
Common questions about SiRu, answered from cross-validated data.
What is SiRu?
SiRu is a stable, semiconducting ruthenium silicide utilized in the development of advanced materials for energy storage.
What is SiRu used for?
What is the band gap of SiRu?
Is SiRu a metal, semiconductor, or insulator?
Is SiRu thermodynamically stable?
What is the crystal structure of SiRu?
What is the density of SiRu?
How many polymorphs of SiRu are known?
What elements does SiRu contain?
Where does the data for SiRu come from?
How It Compares
Within the silicon anode materials class.
Within the diverse class of silicon anode materials, SiRu distinguishes itself through its specific electronic character and high thermodynamic stability compared to more common silicides like Mg2Si or the elemental semiconductor Si. While materials like MoSi2 are often explored for their refractory properties, SiRu offers a unique structural alternative for researchers aiming to tune the electronic and mechanical properties of silicon-rich electrode systems.
Related Compounds
Other Silicon Anode Materials 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).
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