WCl4O
Tungsten oxytetrachloride · Tungsten(VI) oxytetrachloride, Tungsten tetrachloride oxide
Tungsten oxytetrachloride is a reactive inorganic compound containing tungsten in a high oxidation state. It is primarily utilized as a precursor in chemical synthesis and as a starting material for the preparation of various tungsten-based organometallic complexes and catalysts.
Key Properties
Cross-validated computational properties for Tungsten oxytetrachloride, 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 WCl4O, 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. |
|---|---|---|---|---|---|
| I4 (No. 79) | tetragonal | 2.33 | 0.1560 | -5.621 | 3.50 |
| I4 (No. 79) | Tetragonal | — | — | — | 3.50 |
| I4 (No. 79) | Tetragonal | — | — | — | 3.81 |
| I4 (No. 79) | Tetragonal | — | — | — | 3.60 |
| I4 (No. 79) | — | — | — | — | — |
Applications
Where Tungsten oxytetrachloride is used.
Frequently Asked Questions
Common questions about Tungsten oxytetrachloride, answered from cross-validated data.
What is WCl4O?
Tungsten oxytetrachloride is a reactive inorganic compound containing tungsten in a high oxidation state. It is primarily utilized as a precursor in chemical synthesis and as a starting material for the preparation of various tungsten-based organometallic complexes and catalysts.
What is WCl4O used for?
What is the band gap of WCl4O?
Is WCl4O a metal, semiconductor, or insulator?
Is WCl4O thermodynamically stable?
What is the crystal structure of WCl4O?
What is the density of WCl4O?
How many polymorphs of WCl4O are known?
What elements does WCl4O contain?
Where does the data for WCl4O come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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