RuF4
RuF4 is a thermodynamically stable, semiconducting ruthenium fluoride used in advanced catalytic research.
About RuF4
RuF4 is a semiconducting fluoride compound within the platinum-group material class. Its position on the convex hull indicates high thermodynamic stability, making it a reliable candidate for specialized chemical processes where structural integrity is paramount. The material is characterized by a significant degree of structural diversity, as evidenced by its presence in multiple crystallographic databases.
This compound plays a vital role in research focused on advanced catalytic systems. By leveraging the unique electronic properties of ruthenium and fluorine, RuF4 serves as a foundational material for developing high-performance catalysts that require stable, semiconducting substrates in demanding chemical environments.
Key Properties
Cross-validated computational properties for RuF4, 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 RuF4. 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 RuF4, 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. |
|---|---|---|---|---|---|
| — | — | 0.57 | 0.0000 | -1.907 | — |
| P21/c (No. 14) | monoclinic | 0.18 | 0.0000 | -5.368 | 4.64 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.0000 | -1.684 | — |
| — | — | 0.00 | 0.0155 | -1.891 | — |
| — | — | 0.00 | 0.0552 | -1.852 | — |
| P-1 (No. 2) | triclinic | — | — | — | 5.82 |
| P-1 (No. 2) | triclinic | — | — | — | 4.62 |
| P-1 (No. 2) | triclinic | — | — | — | 4.90 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.51 |
| Cm (No. 8) | monoclinic | — | — | — | 5.25 |
| C2/m (No. 12) | monoclinic | — | — | — | 5.08 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.35 |
Applications
Where RuF4 is used.
Frequently Asked Questions
Common questions about RuF4, answered from cross-validated data.
What is RuF4?
RuF4 is a thermodynamically stable, semiconducting ruthenium fluoride used in advanced catalytic research.
What is RuF4 used for?
What is the band gap of RuF4?
Is RuF4 a metal, semiconductor, or insulator?
Is RuF4 thermodynamically stable?
What is the crystal structure of RuF4?
What is the density of RuF4?
How many polymorphs of RuF4 are known?
What elements does RuF4 contain?
Where does the data for RuF4 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike intermetallic compounds such as Ga2Ru or GeRu that are typically metallic, RuF4 distinguishes itself through its semiconducting electronic character. While many other members of this class, including LaRh or As2Ir, are primarily explored for their metallic bonding and magnetic properties, RuF4 stands out as a fluoride-based system that offers a different chemical landscape for catalytic applications.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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