ClO3Tl
thallium chlorate · thallium(I) chlorate
Thallium chlorate is a metastable, insulating inorganic salt composed of thallium and chlorate ions.
About thallium chlorate
Thallium chlorate is an inorganic compound characterized by its insulating electronic nature and wide band gap. As a metastable material, it represents a specialized chemical system that requires careful handling due to the inherent reactivity often associated with chlorate anions paired with heavy metal cations.
This compound is of interest in fundamental materials science research where the study of metastable phases helps elucidate complex structural transitions. Its unique electronic profile makes it a subject of interest for researchers investigating the behavior of thallium-based salts in solid-state chemistry.
Key Properties
Cross-validated computational properties for thallium chlorate, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of ClO3Tl. 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 chlorate is used.
Frequently Asked Questions
Common questions about thallium chlorate, answered from cross-validated data.
What is ClO3Tl?
Thallium chlorate is a metastable, insulating inorganic salt composed of thallium and chlorate ions.
What is ClO3Tl used for?
What is the band gap of ClO3Tl?
Is ClO3Tl a metal, semiconductor, or insulator?
Is ClO3Tl thermodynamically stable?
How many polymorphs of ClO3Tl are known?
What elements does ClO3Tl contain?
Where does the data for ClO3Tl come from?
How It Compares
As a specialized inorganic salt, thallium chlorate occupies a distinct niche in materials science, primarily serving as a reference point for understanding the stability and electronic behavior of heavy metal oxoanion compounds.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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