SF6
Sulfur hexafluoride · SF6
Sulfur hexafluoride is a chemically inert, wide-gap insulating gas primarily used as a dielectric medium in high-voltage electrical infrastructure.
About Sulfur hexafluoride
Sulfur hexafluoride is a highly stable inorganic compound characterized by its inert nature and wide-gap insulating electronic profile. Its unique molecular structure contributes to its exceptional chemical stability, making it a critical material in industrial settings where electrical insulation is paramount.
Due to its remarkable dielectric strength and ability to quench electrical arcs, this compound serves as a vital medium in high-voltage power transmission systems. It is extensively deployed in gas-insulated switchgear and circuit breakers to ensure the safe and reliable operation of power grids.
Key Properties
Cross-validated computational properties for Sulfur hexafluoride, 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 SF6. 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 SF6, 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. |
|---|---|---|---|---|---|
| — | — | 6.15 | 0.0000 | -2.032 | — |
| P-1 (No. 2) | triclinic | 6.05 | 0.0000 | -1.720 | — |
| C2/m (No. 12) | monoclinic | 5.92 | 0.0000 | -4.344 | 2.80 |
| P-3m1 (No. 164) | trigonal | 5.92 | 0.0003 | -4.343 | 2.77 |
| P-3m1 (No. 164) | trigonal | 6.04 | 0.0008 | -1.719 | — |
| P-1 (No. 2) | triclinic | 6.00 | 0.0019 | -4.342 | 2.80 |
| — | — | 6.19 | 0.0025 | -2.030 | — |
| — | — | 6.28 | 0.0047 | -2.027 | — |
| Im-3m (No. 229) | cubic | 5.95 | 0.0066 | -1.713 | — |
| — | — | 6.13 | 0.0080 | -2.024 | — |
| Im-3m (No. 229) | cubic | 5.81 | 0.0089 | -4.335 | 2.56 |
| — | — | 6.14 | 0.0104 | -2.022 | — |
Applications
Where Sulfur hexafluoride is used.
Patent Landscape
8 patents reference SF6 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 6886573 | Plasma cleaning gas with lower global warming potential than SF6 | — | — |
| 4331504 | Etching process with vibrationally excited SF.sub.6 | — | — |
| 6723153 | Isolation of SF6 from insulating gases in gas-insulated lines | — | — |
| 6105631 | Preparation of homogeneous gas mixtures with SF.sub.6 | — | — |
| 12122685 | Method for preparing MoF6 based on plasma activation of SF6 | — | — |
| 6004377 | System for collecting and refining SF.sub.6 gas and method therefor | — | — |
| 4390511 | Process for producing SF.sub.6 through SF.sub.5 Cl | — | — |
| 6103630 | Adding SF.sub.6 gas to improve metal undercut for hardmask metal etching | — | — |
Frequently Asked Questions
Common questions about Sulfur hexafluoride, answered from cross-validated data.
What is SF6?
Sulfur hexafluoride is a chemically inert, wide-gap insulating gas primarily used as a dielectric medium in high-voltage electrical infrastructure.
What is SF6 used for?
What is the band gap of SF6?
Is SF6 a metal, semiconductor, or insulator?
Is SF6 thermodynamically stable?
What is the crystal structure of SF6?
What is the density of SF6?
How many polymorphs of SF6 are known?
What elements does SF6 contain?
Where does the data for SF6 come from?
How It Compares
As a highly stable and inert gas, sulfur hexafluoride stands out as a specialized insulating medium that is uniquely suited for high-voltage electrical applications compared to more reactive or conductive inorganic substances.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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