RuSe2
ruthenium diselenide · ruthenium(IV) selenide
RuSe2 is a stable, semiconducting ruthenium-selenium compound frequently studied for its potential as a catalyst in chemical processes.
About ruthenium diselenide
RuSe2 is a thermodynamically stable compound belonging to the platinum-group alloy catalyst family. As a semiconducting material, it exhibits distinct electronic properties that make it a subject of significant interest for researchers investigating efficient catalytic surfaces. Its position on the convex hull underscores its structural robustness, which is critical for maintaining performance in demanding chemical environments. With extensive documentation across multiple structural databases, it stands as a well-characterized member of its class. Its unique combination of ruthenium and selenium provides a stable platform for exploring catalytic mechanisms, particularly in applications where durability and specific electronic behavior are required.
Key Properties
Cross-validated computational properties for ruthenium diselenide, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of RuSe2. 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 RuSe2, 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. |
|---|---|---|---|---|---|
| Pa-3 (No. 205) | cubic | 0.31 | 0.0000 | -18.539 | 8.08 |
| P1 (No. 1) | Triclinic | — | — | — | 5.45 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.03 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.09 |
| P1 (No. 1) | Triclinic | — | — | — | 6.87 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.57 |
| P1 (No. 1) | Triclinic | — | — | — | 8.12 |
| P1 (No. 1) | Triclinic | — | — | — | 5.13 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.68 |
| P1 (No. 1) | Triclinic | — | — | — | 8.43 |
| Pm (No. 6) | Monoclinic | — | — | — | 6.34 |
| P1 (No. 1) | Triclinic | — | — | — | 5.83 |
Applications
Where ruthenium diselenide is used.
Frequently Asked Questions
Common questions about ruthenium diselenide, answered from cross-validated data.
What is RuSe2?
RuSe2 is a stable, semiconducting ruthenium-selenium compound frequently studied for its potential as a catalyst in chemical processes.
What is RuSe2 used for?
What is the band gap of RuSe2?
Is RuSe2 a metal, semiconductor, or insulator?
Is RuSe2 thermodynamically stable?
What is the crystal structure of RuSe2?
What is the density of RuSe2?
How many polymorphs of RuSe2 are known?
What elements does RuSe2 contain?
Where does the data for RuSe2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse group of platinum-group alloys, RuSe2 is distinguished by its semiconducting nature, contrasting with the metallic character often found in many other members like LaRh or BaPd. While compounds such as IrSe2 share a similar chalcogenide-based stoichiometry, RuSe2 is notable for its high degree of structural stability, making it a reliable reference point for comparing the catalytic activity of ruthenium-based binary systems against other transition metal pnictides or chalcogenides like As2Ir 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).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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