RuO4
Ruthenium tetroxide · Ruthenium(VIII) oxide
Ruthenium tetroxide is a stable semiconducting oxide widely utilized as a powerful oxidizing agent and catalyst in chemical synthesis.
About Ruthenium tetroxide
Ruthenium tetroxide is a distinctive semiconducting oxide that plays a critical role in advanced chemical synthesis. As a thermodynamically stable member of the oxygen-evolution catalyst family, it is highly valued for its reactivity and efficiency in facilitating complex oxidation pathways. Its unique electronic structure allows it to participate effectively in catalytic cycles, making it a specialized reagent in laboratory and industrial settings. The compound is widely recognized for its ability to drive challenging chemical transformations, supported by a significant body of structural data that underscores its reliability in diverse catalytic environments.
Key Properties
Cross-validated computational properties for Ruthenium tetroxide, aggregated across 3 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 RuO4. 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 RuO4, 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. |
|---|---|---|---|---|---|
| P-43n (No. 218) | cubic | 2.43 | 0.0000 | -6.995 | 3.61 |
| C2/c (No. 15) | monoclinic | 2.35 | 0.0000 | -0.756 | — |
| — | — | 2.04 | 0.0000 | -0.867 | — |
| C2/c (No. 15) | monoclinic | 2.39 | 0.0002 | -6.995 | 3.63 |
| — | — | 2.06 | 0.0049 | -0.862 | — |
| — | — | 0.00 | 0.4871 | -0.380 | — |
| C2/m (No. 12) | monoclinic | — | — | — | 3.54 |
| Cm (No. 8) | monoclinic | — | — | — | 5.18 |
| Cm (No. 8) | monoclinic | — | — | — | 4.66 |
| Cm (No. 8) | monoclinic | — | — | — | 4.11 |
| Cm (No. 8) | monoclinic | — | — | — | 4.58 |
| P1 (No. 1) | triclinic | — | — | — | 4.11 |
Applications
Where Ruthenium tetroxide is used.
Patent Landscape
2 patents reference RuO4 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 8663735 | In situ generation of RuO4 for ALD of Ru and Ru related materials | — | — |
| 11932590 | Inhibitor for RuO4 gas generation and method for inhibiting RuO4 gas generation | — | — |
Frequently Asked Questions
Common questions about Ruthenium tetroxide, answered from cross-validated data.
What is RuO4?
Ruthenium tetroxide is a stable semiconducting oxide widely utilized as a powerful oxidizing agent and catalyst in chemical synthesis.
What is RuO4 used for?
What is the band gap of RuO4?
Is RuO4 a metal, semiconductor, or insulator?
Is RuO4 thermodynamically stable?
What is the crystal structure of RuO4?
How many polymorphs of RuO4 are known?
What elements does RuO4 contain?
Where does the data for RuO4 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the more common transition metal oxides such as NiO or the layered lithium-based battery materials like LiCoO2, ruthenium tetroxide is characterized by its high oxidation state and distinct volatility. While many of its siblings in the oxygen-evolution catalyst class, such as LaMnO3 or BiFeO3, are typically utilized as solid-state perovskite frameworks, this compound functions as a potent molecular oxidant, setting it apart from the more traditional ceramic-like oxides in the group.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- 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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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