WCl2
Tungsten dichloride is a stable semiconducting inorganic compound primarily utilized in chemical synthesis and fundamental materials research.
About WCl2
Tungsten dichloride is a thermodynamically stable metal halide that exhibits semiconducting electronic behavior. Its structural configuration allows for diverse coordination environments, making it a subject of significant interest in inorganic chemistry. The compound serves as a fundamental building block for investigating metal-metal bonding and cluster chemistry. Its stability on the convex hull ensures it remains a reliable precursor for various synthetic pathways in materials science.
Key Properties
Cross-validated computational properties for WCl2, 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.
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 WCl2, 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. |
|---|---|---|---|---|---|
| Cmce (No. 64) | orthorhombic | 2.82 | 0.0000 | -22.049 | 5.27 |
| P1 (No. 1) | Triclinic | — | — | — | 5.36 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 6.29 |
| Cm (No. 8) | Monoclinic | — | — | — | 11.10 |
| P3m1 (No. 156) | Trigonal | — | — | — | 5.68 |
| P3m1 (No. 156) | Trigonal | — | — | — | 7.92 |
| C2/c (No. 15) | Monoclinic | — | — | — | 7.64 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.83 |
| C2/c (No. 15) | Monoclinic | — | — | — | 6.26 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.85 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.98 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.95 |
Applications
Where WCl2 is used.
Frequently Asked Questions
Common questions about WCl2, answered from cross-validated data.
What is WCl2?
Tungsten dichloride is a stable semiconducting inorganic compound primarily utilized in chemical synthesis and fundamental materials research.
What is WCl2 used for?
What is the band gap of WCl2?
Is WCl2 a metal, semiconductor, or insulator?
Is WCl2 thermodynamically stable?
What is the crystal structure of WCl2?
What is the density of WCl2?
How many polymorphs of WCl2 are known?
What elements does WCl2 contain?
Where does the data for WCl2 come from?
How It Compares
As a distinct metal halide, WCl2 occupies a specific niche in inorganic chemistry where it serves as a primary reference point for tungsten-based cluster compounds. Unlike more complex halides, its structural simplicity allows researchers to isolate and study the fundamental electronic properties inherent to its semiconducting nature.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
Analyze WCl2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →