WF4
Tungsten tetrafluoride · Tungsten(IV) fluoride
Tungsten tetrafluoride is a binary inorganic compound consisting of tungsten and fluorine. It is primarily utilized as a chemical intermediate in specialized synthetic processes and materials research.
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Overview
Key Properties
Cross-validated computational properties for Tungsten 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.
0.72–1.17 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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
33
3 databases, 11 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for WF4, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 1.17 | 0.0000 | -6.749 | 5.23 |
| P21/c (No. 14) | monoclinic | 0.72 | 0.2022 | -15.179 | 6.54 |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 8.08 |
| Pm (No. 6) | Monoclinic | — | — | — | 7.54 |
| P1 (No. 1) | Triclinic | — | — | — | 5.28 |
| Pm (No. 6) | Monoclinic | — | — | — | 6.73 |
| P4mm (No. 99) | Tetragonal | — | — | — | 6.93 |
| Cm (No. 8) | Monoclinic | — | — | — | 7.97 |
| Cmm2 (No. 35) | Orthorhombic | — | — | — | 8.43 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.77 |
| P4mm (No. 99) | Tetragonal | — | — | — | 5.29 |
Uses
Applications
Where Tungsten tetrafluoride is used.
Chemical synthesisMaterials science researchFluorinating agent
Reference
Frequently Asked Questions
Common questions about Tungsten tetrafluoride, answered from cross-validated data.
What is WF4?
Tungsten tetrafluoride is a binary inorganic compound consisting of tungsten and fluorine. It is primarily utilized as a chemical intermediate in specialized synthetic processes and materials research.
More questions
What is WF4 used for?
Tungsten tetrafluoride (WF4) is used in chemical synthesis, materials science research, and fluorinating agent.
What is the band gap of WF4?
Tungsten tetrafluoride (WF4) has a DFT-computed band gap of 0.72–1.17 eV across 33 reported structures.
Is WF4 a metal, semiconductor, or insulator?
With a band gap up to 1.17 eV it is a semiconductor.
Is WF4 thermodynamically stable?
Yes — Tungsten tetrafluoride (WF4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of WF4?
The lowest-energy reported polymorph of Tungsten tetrafluoride (WF4) is triclinic symmetry, space group P1 (No. 1).
What is the density of WF4?
The computed density of the ground-state structure of Tungsten tetrafluoride (WF4) is 5.23 g/cm³.
How many polymorphs of WF4 are known?
33 structures of WF4 are reported across 3 databases, spanning 11 distinct space groups.
What elements does WF4 contain?
Tungsten tetrafluoride (WF4) contains F and W (2 elements).
Where does the data for WF4 come from?
WF4 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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