SF6

Sulfur hexafluoride · SF6

Sulfur hexafluoride is an inert, colorless, and odorless synthetic gas known for its exceptional stability and electrical insulating properties. It is widely utilized in heavy industrial equipment to prevent electrical arcs and ensure the safe operation of high-voltage systems.

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Crystal structure of SF6 (monoclinic, C2/m (No. 12))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Sulfur hexafluoride, aggregated across 3 databases.

Band Gap

5.81–5.96 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

19
3 databases, 7 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for SF6, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
C2/m (No. 12)monoclinic5.910.0000-5.6812.80
P-3m1 (No. 164)trigonal5.920.0003-5.6802.77
P-1 (No. 2)triclinic5.960.0019-5.6792.80
Im-3m (No. 229)cubic5.810.0089-5.6722.56
P-1 (No. 2)
Im-3m (No. 229)Cubic2.26
P1 (No. 1)Triclinic3.31
P1 (No. 1)Triclinic3.14
P-3m1 (No. 164)
Pm (No. 6)Monoclinic4.84
Im-3m (No. 229)
P2/m (No. 10)Monoclinic3.19
Uses

Applications

Where Sulfur hexafluoride is used.

Electrical power transmission and distributionGas-insulated switchgearMedical imaging and ophthalmologyMagnesium productionSemiconductor manufacturing
Reference

Frequently Asked Questions

Common questions about Sulfur hexafluoride, answered from cross-validated data.

What is SF6?

Sulfur hexafluoride is an inert, colorless, and odorless synthetic gas known for its exceptional stability and electrical insulating properties. It is widely utilized in heavy industrial equipment to prevent electrical arcs and ensure the safe operation of high-voltage systems.

More questions
What is SF6 used for?
Sulfur hexafluoride (SF6) is used in electrical power transmission and distribution, gas-insulated switchgear, medical imaging and ophthalmology, magnesium production, and semiconductor manufacturing.
What is the band gap of SF6?
Sulfur hexafluoride (SF6) has a DFT-computed band gap of 5.81–5.96 eV across 19 reported structures.
Is SF6 a metal, semiconductor, or insulator?
With a wide band gap up to 5.96 eV it is an insulator / wide-band-gap material.
Is SF6 thermodynamically stable?
Yes — Sulfur hexafluoride (SF6) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of SF6?
The lowest-energy reported polymorph of Sulfur hexafluoride (SF6) is monoclinic symmetry, space group C2/m (No. 12).
What is the density of SF6?
The computed density of the ground-state structure of Sulfur hexafluoride (SF6) is 2.80 g/cm³.
How many polymorphs of SF6 are known?
19 structures of SF6 are reported across 3 databases, spanning 7 distinct space groups.
What elements does SF6 contain?
Sulfur hexafluoride (SF6) contains F and S (2 elements).
Where does the data for SF6 come from?
SF6 data is cross-referenced from materials_project, jarvis, mpaloe.
Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • mpaloe — Data from mpaloe.

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