AsSe2Tl
AsSe2Tl is a thermodynamically stable semiconducting compound composed of arsenic, selenium, and thallium.
About AsSe2Tl
AsSe2Tl is a ternary chalcogenide that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of arsenic, selenium, and thallium atoms.
This material is of significant interest due to its structural diversity, with numerous reported configurations across various databases. Its stability and semiconducting nature make it a compelling subject for researchers investigating complex inorganic frameworks for potential electronic and optoelectronic applications.
Key Properties
Cross-validated computational properties for AsSe2Tl, aggregated across 5 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 AsSe2Tl. 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 AsSe2Tl is used.
Frequently Asked Questions
Common questions about AsSe2Tl, answered from cross-validated data.
What is AsSe2Tl?
AsSe2Tl is a thermodynamically stable semiconducting compound composed of arsenic, selenium, and thallium.
What is AsSe2Tl used for?
What is the band gap of AsSe2Tl?
Is AsSe2Tl a metal, semiconductor, or insulator?
Is AsSe2Tl thermodynamically stable?
How many polymorphs of AsSe2Tl are known?
What elements does AsSe2Tl contain?
Where does the data for AsSe2Tl come from?
How It Compares
As a distinct ternary compound, AsSe2Tl occupies a unique position in the landscape of arsenic-selenium-thallium materials. It serves as a fundamental reference point for understanding the phase stability and electronic properties of complex chalcogenides in this chemical space.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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