SF4
SF4 has a DFT band gap of 1.19–4.90 eV across 3 reported structures in 2 space groups. Cross-validated across 2 computational databases.
FS
At a glance
Key Properties
Cross-validated computational properties for SF4, aggregated across 2 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.
1.19–4.90 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.
0.027 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.
Metastable
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
2 databases, 2 space groups
Reference
Frequently Asked Questions
Common questions about SF4, answered from cross-validated data.
What is the band gap of SF4?
SF4 has a DFT-computed band gap of 1.19–4.90 eV across 3 reported structures.
More questions
Is SF4 a metal, semiconductor, or insulator?
With a wide band gap up to 4.90 eV it is an insulator / wide-band-gap material.
Is SF4 thermodynamically stable?
SF4 has a lowest energy above hull of 0.027 eV/atom (metastable).
How many polymorphs of SF4 are known?
3 structures of SF4 are reported across 2 databases, spanning 2 distinct space groups.
What elements does SF4 contain?
SF4 contains F and S (2 elements).
Where does the data for SF4 come from?
SF4 data is cross-referenced from latticegraph.
Reading
Related Research
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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