WClO
WClO is a metastable, semiconducting tungsten oxychloride compound characterized by a diverse array of potential structural configurations.
About WClO
WClO is a complex tungsten-based oxychloride that exhibits semiconducting electronic behavior. As a metastable phase, it represents a unique structural arrangement within the transition metal oxyhalide family, offering intriguing possibilities for specialized chemical synthesis and material design.
Its existence is supported by a diverse range of reported structural configurations across multiple databases. This data richness highlights its significance as a subject of ongoing investigation for researchers looking to understand the interplay between tungsten, chlorine, and oxygen in solid-state systems.
Key Properties
Cross-validated computational properties for WClO, 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 WClO, 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. |
|---|---|---|---|---|---|
| Pmc21 (No. 26) | orthorhombic | 1.79 | 0.0745 | -7.048 | 5.23 |
| Pmm2 (No. 25) | orthorhombic | 1.55 | 0.0765 | -7.046 | 5.23 |
| Pmc21 (No. 26) | orthorhombic | 2.20 | 0.0900 | -7.032 | 5.19 |
| P21/m (No. 11) | Monoclinic | — | — | — | 5.28 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.17 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.35 |
| P2 (No. 3) | Monoclinic | — | — | — | 10.56 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.52 |
| P21/m (No. 11) | Monoclinic | — | — | — | 8.67 |
| P-1 (No. 2) | Triclinic | — | — | — | 8.75 |
| P21/m (No. 11) | Monoclinic | — | — | — | 9.07 |
| P-1 (No. 2) | Triclinic | — | — | — | 9.04 |
Applications
Where WClO is used.
Frequently Asked Questions
Common questions about WClO, answered from cross-validated data.
What is WClO?
WClO is a metastable, semiconducting tungsten oxychloride compound characterized by a diverse array of potential structural configurations.
What is WClO used for?
What is the band gap of WClO?
Is WClO a metal, semiconductor, or insulator?
Is WClO thermodynamically stable?
What is the crystal structure of WClO?
What is the density of WClO?
How many polymorphs of WClO are known?
What elements does WClO contain?
Where does the data for WClO come from?
How It Compares
As a unique tungsten oxychloride, WClO serves as a distinct example of how transition metal halides can incorporate oxygen to form metastable semiconducting frameworks. Without direct structural siblings in this specific class, it stands as a standalone point of study for understanding the electronic tuning possible in complex tungsten-based inorganic compounds.
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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