SiF4
Silicon tetrafluoride · Tetrafluorosilane
Silicon tetrafluoride is a stable, insulating gas used extensively as a precursor in the production of silicon-based electronic materials.
About Silicon tetrafluoride
Silicon tetrafluoride is a thermodynamically stable inorganic compound characterized by its wide-band-gap insulating electronic nature. It plays a critical role in industrial chemistry due to its unique reactivity and volatility, serving as a key precursor in the synthesis of silicon-based thin films and materials.
As a vital component within the broader landscape of silicon-containing materials, this compound is essential for precision etching and deposition techniques. Its stability and chemical properties make it a preferred choice for specialized applications where controlled silicon delivery is required.
Key Properties
Cross-validated computational properties for Silicon tetrafluoride, 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 SiF4. 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 SiF4, 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. |
|---|---|---|---|---|---|
| — | — | 8.11 | 0.0000 | -3.351 | — |
| I-43m (No. 217) | cubic | 7.85 | 0.0000 | -3.173 | — |
| I-43m (No. 217) | cubic | 7.73 | 0.0000 | -6.089 | 2.34 |
| — | — | 7.89 | 0.0064 | -3.345 | — |
| — | — | 7.16 | 0.1479 | -3.204 | — |
| — | — | 6.63 | 0.1649 | -3.187 | — |
| — | — | 7.25 | 0.2047 | -3.147 | — |
| — | — | 7.26 | 0.2060 | -3.145 | — |
| Cm (No. 8) | monoclinic | — | — | — | 3.78 |
| P1 (No. 1) | triclinic | — | — | — | 3.13 |
| Pm (No. 6) | monoclinic | — | — | — | 3.61 |
| P-1 (No. 2) | triclinic | — | — | — | 3.02 |
Applications
Where Silicon tetrafluoride is used.
Patent Landscape
3 patents reference SiF4 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 6903031 | In-situ-etch-assisted HDP deposition using SiF4 and hydrogen | — | — |
| 7049211 | In-situ-etch-assisted HDP deposition using SiF4 | — | — |
| 4714604 | Method of separating HF and SiF.sub.4 from HCl | — | — |
Frequently Asked Questions
Common questions about Silicon tetrafluoride, answered from cross-validated data.
What is SiF4?
Silicon tetrafluoride is a stable, insulating gas used extensively as a precursor in the production of silicon-based electronic materials.
What is SiF4 used for?
What is the band gap of SiF4?
Is SiF4 a metal, semiconductor, or insulator?
Is SiF4 thermodynamically stable?
What is the crystal structure of SiF4?
How many polymorphs of SiF4 are known?
What elements does SiF4 contain?
Where does the data for SiF4 come from?
How It Compares
Within the silicon anode materials class.
Unlike metallic or semi-metallic silicon-based compounds such as FeSi or MoSi2, which are often valued for their electrical conductivity or structural robustness, SiF4 stands out as a highly insulating, volatile species. While materials like Si or Mg2Si are primarily studied for their role in energy storage or semiconductor electronics, SiF4 is distinguished by its gaseous nature and utility as a chemical reagent in thin-film fabrication.
Related Compounds
Other Silicon Anode Materials in the database.
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.
Analyze SiF4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →