RuS2
Ruthenium disulfide · Ruthenium sulfide
Ruthenium disulfide is a stable, semiconducting inorganic compound used primarily in catalytic and electronic research.
About Ruthenium disulfide
Ruthenium disulfide is a thermodynamically stable inorganic compound composed of ruthenium and sulfur. It functions as a semiconductor, making it a subject of significant interest for researchers investigating electronic and optoelectronic material properties. The compound is characterized by a high degree of structural data availability, reflecting its prominence in materials science research. Its stable nature on the convex hull suggests a robust crystalline framework suitable for diverse chemical environments. Due to its electronic character, it is frequently evaluated for use in advanced catalytic processes and as a potential component in specialized semiconductor devices. Its unique combination of stability and electronic behavior positions it as a valuable material for developing next-generation energy conversion technologies.
Key Properties
Cross-validated computational properties for Ruthenium disulfide, aggregated across 6 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of RuS2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for RuS2, 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. |
|---|---|---|---|---|---|
| — | — | 0.77 | 0.0000 | -0.738 | — |
| Pa-3 (No. 205) | cubic | 0.67 | 0.0000 | -14.518 | 6.15 |
| Pa-3 (No. 205) | cubic | 0.60 | 0.0000 | -0.646 | — |
| — | — | 0.77 | 0.0001 | -0.738 | — |
| — | — | 0.77 | 0.0001 | -0.738 | — |
| — | — | 1.02 | 0.0303 | -0.708 | — |
| — | — | 0.00 | 0.1919 | -0.546 | — |
| — | — | 0.00 | 0.3857 | -0.353 | — |
| — | — | 0.00 | 0.4022 | -0.336 | — |
| — | — | 0.00 | 0.4041 | -0.334 | — |
| — | — | 0.00 | 0.4087 | -0.330 | — |
| — | — | 0.00 | 0.4158 | -0.323 | — |
Applications
Where Ruthenium disulfide is used.
Frequently Asked Questions
Common questions about Ruthenium disulfide, answered from cross-validated data.
What is RuS2?
Ruthenium disulfide is a stable, semiconducting inorganic compound used primarily in catalytic and electronic research.
What is RuS2 used for?
What is the band gap of RuS2?
Is RuS2 a metal, semiconductor, or insulator?
Is RuS2 thermodynamically stable?
What is the crystal structure of RuS2?
What is the density of RuS2?
How many polymorphs of RuS2 are known?
What elements does RuS2 contain?
Where does the data for RuS2 come from?
How It Compares
As a distinct transition metal dichalcogenide, ruthenium disulfide stands out for its exceptional thermodynamic stability and well-documented structural landscape, serving as a benchmark material for studying the behavior of group eight metal sulfides.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
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