Cl3CoTl
Cl3CoTl is a semiconducting inorganic compound composed of cobalt, thallium, and chlorine that is considered a candidate for laboratory synthesis.
About Cl3CoTl
Cl3CoTl is a complex inorganic compound featuring cobalt and thallium coordinated with chlorine. As a semiconducting material, it sits at the intersection of transition metal chemistry and heavy metal halide systems, presenting a unique electronic profile for specialized investigation.
Because it resides near the thermodynamic hull, this compound is considered a viable candidate for experimental synthesis. Its existence across multiple structural databases highlights its significance as a subject for researchers exploring stable, non-traditional inorganic frameworks.
Key Properties
Cross-validated computational properties for Cl3CoTl, 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 Cl3CoTl, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.20 | 0.0048 | -4.131 | 4.83 |
| Pbca (No. 61) | orthorhombic | 0.00 | 0.0082 | -4.127 | 5.02 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0106 | -4.125 | 5.04 |
| P63cm (No. 185) | hexagonal | 0.00 | 0.1257 | -4.010 | 5.05 |
| — | — | — | — | — | — |
| — | — | — | — | — | 5.27 |
Applications
Where Cl3CoTl is used.
Frequently Asked Questions
Common questions about Cl3CoTl, answered from cross-validated data.
What is Cl3CoTl?
Cl3CoTl is a semiconducting inorganic compound composed of cobalt, thallium, and chlorine that is considered a candidate for laboratory synthesis.
What is Cl3CoTl used for?
What is the band gap of Cl3CoTl?
Is Cl3CoTl a metal, semiconductor, or insulator?
Is Cl3CoTl thermodynamically stable?
What is the crystal structure of Cl3CoTl?
What is the density of Cl3CoTl?
How many polymorphs of Cl3CoTl are known?
What elements does Cl3CoTl contain?
Where does the data for Cl3CoTl come from?
How It Compares
As a unique inorganic system, Cl3CoTl serves as an exploratory entry point for understanding the interplay between cobalt-based coordination environments and thallium halides, providing a distinct structural case study in the absence of direct structural analogs.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- alexandria — Data from alexandria.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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