ReF7
Rhenium heptafluoride · Rhenium(VII) fluoride
Rhenium heptafluoride is a stable, semiconducting compound formed by the combination of rhenium and fluorine.
About Rhenium heptafluoride
Rhenium heptafluoride is a distinct inorganic compound composed of rhenium and fluorine. As a thermodynamically stable member of the metal fluoride family, it sits securely on the convex hull, indicating a robust structural configuration under standard conditions.
This semiconducting material is characterized by its high oxidation state, which influences its chemical reactivity and physical behavior. Its existence across multiple reported structures highlights its significance in the study of transition metal halides and their complex bonding environments.
Key Properties
Cross-validated computational properties for Rhenium heptafluoride, 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 ReF7. 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 ReF7, 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. |
|---|---|---|---|---|---|
| — | — | 2.19 | 0.0000 | -2.257 | — |
| P-1 (No. 2) | triclinic | 1.99 | 0.0000 | -5.625 | 4.95 |
| P-1 (No. 2) | triclinic | 1.91 | 0.0000 | -2.081 | — |
| P-1 (No. 2) | triclinic | — | — | — | 4.66 |
| P-1 (No. 2) | triclinic | — | — | — | 4.89 |
| P-1 (No. 2) | triclinic | — | — | — | 4.72 |
Applications
Where Rhenium heptafluoride is used.
Frequently Asked Questions
Common questions about Rhenium heptafluoride, answered from cross-validated data.
What is ReF7?
Rhenium heptafluoride is a stable, semiconducting compound formed by the combination of rhenium and fluorine.
What is ReF7 used for?
What is the band gap of ReF7?
Is ReF7 a metal, semiconductor, or insulator?
Is ReF7 thermodynamically stable?
What is the crystal structure of ReF7?
What is the density of ReF7?
How many polymorphs of ReF7 are known?
What elements does ReF7 contain?
Where does the data for ReF7 come from?
How It Compares
As a unique high-valence fluoride, this compound serves as a critical reference point for understanding the behavior of rhenium in highly fluorinated environments, representing an extreme case of metal-fluorine bonding within the broader class of transition metal fluorides.
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.
Analyze ReF7 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →