C2Cl36W12
C2Cl36W12 is a thermodynamically stable, semiconducting inorganic cluster compound composed of tungsten, chlorine, and carbon.
About C2Cl36W12
C2Cl36W12 is a complex inorganic cluster compound characterized by its semiconducting electronic nature. Its presence on the thermodynamic convex hull indicates high stability, making it a robust subject for structural analysis and chemical investigation.
As a specialized cluster material, it represents a unique arrangement of tungsten, chlorine, and carbon. Its distinct electronic behavior and stable configuration provide researchers with a valuable model for studying metal-halide cluster interactions.
Key Properties
Cross-validated computational properties for C2Cl36W12, 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 C2Cl36W12, 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. |
|---|---|---|---|---|---|
| P-62c (No. 190) | hexagonal | 1.16 | 0.0000 | -18.057 | 4.55 |
| P-62c (No. 190) | — | — | — | — | — |
| — | — | — | — | — | 4.02 |
Applications
Where C2Cl36W12 is used.
Frequently Asked Questions
Common questions about C2Cl36W12, answered from cross-validated data.
What is C2Cl36W12?
C2Cl36W12 is a thermodynamically stable, semiconducting inorganic cluster compound composed of tungsten, chlorine, and carbon.
What is C2Cl36W12 used for?
What is the band gap of C2Cl36W12?
Is C2Cl36W12 a metal, semiconductor, or insulator?
Is C2Cl36W12 thermodynamically stable?
What is the crystal structure of C2Cl36W12?
What is the density of C2Cl36W12?
How many polymorphs of C2Cl36W12 are known?
What elements does C2Cl36W12 contain?
Where does the data for C2Cl36W12 come from?
How It Compares
As a unique inorganic cluster, C2Cl36W12 occupies a specialized niche within materials science. Unlike more common binary or ternary compounds, its complex stoichiometry highlights the diversity of metal-halide structural motifs, serving as a distinct example of stable, semiconducting cluster chemistry.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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