ClTl
Thallium(I) chloride · Thallous chloride
Thallium(I) chloride is a stable, semiconducting inorganic compound primarily utilized for its specialized optical and detection properties.
About Thallium(I) chloride
Thallium(I) chloride is a well-characterized inorganic halide that exists in a thermodynamically stable state on the convex hull. As a semiconducting material, it exhibits distinct electronic properties that make it a subject of significant interest in materials science research, supported by a diverse range of reported structural configurations.
Its utility is largely defined by its unique interaction with radiation and light, positioning it as a specialized component in advanced detection technologies. The stability of this compound ensures its reliability in demanding environments where consistent material performance is required.
Key Properties
Cross-validated computational properties for Thallium(I) chloride, aggregated across 4 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of ClTl. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Applications
Where Thallium(I) chloride is used.
Frequently Asked Questions
Common questions about Thallium(I) chloride, answered from cross-validated data.
What is ClTl?
Thallium(I) chloride is a stable, semiconducting inorganic compound primarily utilized for its specialized optical and detection properties.
What is ClTl used for?
What is the band gap of ClTl?
Is ClTl a metal, semiconductor, or insulator?
Is ClTl thermodynamically stable?
How many polymorphs of ClTl are known?
What elements does ClTl contain?
Where does the data for ClTl come from?
How It Compares
As a primary representative of its chemical class, thallium(I) chloride serves as a foundational reference point for understanding the behavior of thallium-based halides. Its status as a stable, well-studied semiconductor provides a benchmark for evaluating the electronic and structural trends observed in related heavy-metal halide systems.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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