WCl6
Tungsten hexachloride · Tungsten(VI) chloride
Tungsten hexachloride is a dark-colored inorganic compound that serves as a vital precursor in chemical synthesis. It is primarily utilized as a starting material for the preparation of various organometallic tungsten complexes and as a catalyst in industrial polymerization processes.
Key Properties
Cross-validated computational properties for Tungsten hexachloride, 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.
Reported Structures
Lowest-energy structures reported for WCl6, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 1.92 | 0.0000 | -13.558 | 3.45 |
| P-3m1 (No. 164) | trigonal | 1.75 | 0.0004 | -13.558 | 3.40 |
| P-3m1 (No. 164) | — | — | — | — | — |
| R-3 (No. 148) | — | — | — | — | — |
| P-3m1 (No. 164) | Trigonal | — | — | — | 2.89 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 3.00 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 2.93 |
| R-3 (No. 148) | Trigonal | — | — | — | 2.88 |
| R-3 (No. 148) | Trigonal | — | — | — | 3.01 |
| R-3 (No. 148) | Trigonal | — | — | — | 2.93 |
Applications
Where Tungsten hexachloride is used.
Frequently Asked Questions
Common questions about Tungsten hexachloride, answered from cross-validated data.
What is WCl6?
Tungsten hexachloride is a dark-colored inorganic compound that serves as a vital precursor in chemical synthesis. It is primarily utilized as a starting material for the preparation of various organometallic tungsten complexes and as a catalyst in industrial polymerization processes.
What is WCl6 used for?
What is the band gap of WCl6?
Is WCl6 a metal, semiconductor, or insulator?
Is WCl6 thermodynamically stable?
What is the crystal structure of WCl6?
What is the density of WCl6?
How many polymorphs of WCl6 are known?
What elements does WCl6 contain?
Where does the data for WCl6 come from?
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.
Analyze WCl6 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →