RuF3
Ruthenium trifluoride · Ruthenium(III) fluoride
Ruthenium trifluoride is a chemical compound composed of ruthenium and fluorine. It is primarily utilized as a precursor in chemical synthesis and as a reagent in specialized inorganic research.
Overview
Key Properties
Cross-validated computational properties for Ruthenium trifluoride, 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.
0.29 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
43
3 databases, 12 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for RuF3, 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. |
|---|---|---|---|---|---|
| R-3c (No. 167) | trigonal | 0.00 | 0.0000 | -10.518 | 5.38 |
| C2/c (No. 15) | monoclinic | 0.29 | 0.2596 | -10.259 | 3.08 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.63 |
| R-3c (No. 167) | Trigonal | — | — | — | 5.22 |
| Pbam (No. 55) | Orthorhombic | — | — | — | 5.61 |
| P1 (No. 1) | Triclinic | — | — | — | 2.95 |
| Cm (No. 8) | — | — | — | — | — |
| Pm (No. 6) | Monoclinic | — | — | — | 6.24 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.16 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.95 |
| C2 (No. 5) | Monoclinic | — | — | — | 3.20 |
| C2221 (No. 20) | Orthorhombic | — | — | — | 3.88 |
Uses
Applications
Where Ruthenium trifluoride is used.
Chemical synthesisInorganic researchPrecursor for ruthenium-based materials
Reference
Frequently Asked Questions
Common questions about Ruthenium trifluoride, answered from cross-validated data.
What is RuF3?
Ruthenium trifluoride is a chemical compound composed of ruthenium and fluorine. It is primarily utilized as a precursor in chemical synthesis and as a reagent in specialized inorganic research.
More questions
What is RuF3 used for?
Ruthenium trifluoride (RuF3) is used in chemical synthesis, inorganic research, and precursor for ruthenium-based materials.
What is the band gap of RuF3?
Ruthenium trifluoride (RuF3) has a DFT-computed band gap of 0.29 eV across 43 reported structures.
Is RuF3 a metal, semiconductor, or insulator?
With a band gap up to 0.29 eV it is a semiconductor.
Is RuF3 thermodynamically stable?
Yes — Ruthenium trifluoride (RuF3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of RuF3?
The lowest-energy reported polymorph of Ruthenium trifluoride (RuF3) is trigonal symmetry, space group R-3c (No. 167).
What is the density of RuF3?
The computed density of the ground-state structure of Ruthenium trifluoride (RuF3) is 5.38 g/cm³.
How many polymorphs of RuF3 are known?
43 structures of RuF3 are reported across 3 databases, spanning 12 distinct space groups.
What elements does RuF3 contain?
Ruthenium trifluoride (RuF3) contains F and Ru (2 elements).
Where does the data for RuF3 come from?
RuF3 data is cross-referenced from materials_project, mpaloe, jarvis.
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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.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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