RbRuF6
RbRuF6 is a thermodynamically stable, semiconducting ruthenium-based fluoride used in advanced materials research.
About RbRuF6
RbRuF6 is a distinct semiconducting compound that occupies a stable position on the convex hull, indicating significant thermodynamic robustness. As a member of the broader platinum-group alloy catalyst class, it leverages the unique electronic properties of ruthenium to facilitate specialized chemical transformations. Its structural reliability is evidenced by consistent reporting across multiple material databases. The compound serves as a critical subject for researchers investigating the intersection of noble metal chemistry and halide frameworks. By maintaining structural stability, it provides a reliable platform for studying electronic behavior in complex inorganic lattices, which is essential for advancing high-performance catalytic materials.
Key Properties
Cross-validated computational properties for RbRuF6, 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 RbRuF6. 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 RbRuF6, 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. |
|---|---|---|---|---|---|
| — | — | 1.20 | 0.0000 | -2.369 | — |
| R-3m (No. 166) | trigonal | 1.18 | 0.0000 | -5.170 | 3.88 |
| R-3m (No. 166) | trigonal | 1.16 | 0.0000 | -2.252 | — |
| R-3m (No. 166) | trigonal | — | — | — | 3.63 |
| R-3m (No. 166) | trigonal | — | — | — | 3.53 |
| R-3m (No. 166) | trigonal | — | — | — | 3.78 |
Applications
Where RbRuF6 is used.
Frequently Asked Questions
Common questions about RbRuF6, answered from cross-validated data.
What is RbRuF6?
RbRuF6 is a thermodynamically stable, semiconducting ruthenium-based fluoride used in advanced materials research.
What is RbRuF6 used for?
What is the band gap of RbRuF6?
Is RbRuF6 a metal, semiconductor, or insulator?
Is RbRuF6 thermodynamically stable?
What is the crystal structure of RbRuF6?
What is the density of RbRuF6?
How many polymorphs of RbRuF6 are known?
What elements does RbRuF6 contain?
Where does the data for RbRuF6 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike many metallic or intermetallic members of the platinum-group alloy class such as GeRu or Ga2Ru, RbRuF6 is characterized by its semiconducting electronic nature and fluoride-based composition. While siblings like As2Pt or BaPd often exhibit typical metallic conduction, this compound represents a more specialized niche within the class, focusing on the stability afforded by its specific anionic framework.
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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