TlCu3Se2
TlCu3Se2 is a semiconducting ternary selenide compound that is considered a likely candidate for experimental synthesis due to its favorable thermodynamic stability.
About TlCu3Se2
TlCu3Se2 is a ternary compound composed of thallium, copper, and selenium. As a semiconducting material, it exhibits electronic properties that bridge the gap between metallic conductors and insulating solids, offering potential utility in specialized electronic or optoelectronic device architectures.
This compound is characterized by its position near the thermodynamic stability hull, suggesting that it is a viable target for experimental synthesis. Its presence across multiple structural databases highlights its significance as a subject of ongoing computational and materials science exploration.
Key Properties
Cross-validated computational properties for TlCu3Se2, 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.
Applications
Where TlCu3Se2 is used.
Frequently Asked Questions
Common questions about TlCu3Se2, answered from cross-validated data.
What is TlCu3Se2?
TlCu3Se2 is a semiconducting ternary selenide compound that is considered a likely candidate for experimental synthesis due to its favorable thermodynamic stability.
What is TlCu3Se2 used for?
What is the band gap of TlCu3Se2?
Is TlCu3Se2 a metal, semiconductor, or insulator?
Is TlCu3Se2 thermodynamically stable?
How many polymorphs of TlCu3Se2 are known?
What elements does TlCu3Se2 contain?
Where does the data for TlCu3Se2 come from?
How It Compares
As a ternary selenide, TlCu3Se2 represents a distinct chemical space within the broader family of copper-based chalcogenides. It serves as a valuable case study for understanding how the inclusion of heavy elements like thallium influences the structural stability and electronic behavior of semiconducting frameworks.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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