K1Se2Tl1

K1Se2Tl1 is a stable, semiconducting ternary compound containing potassium, selenium, and thallium.

KSeTl
Crystal structure of K1Se2Tl1
Ground-state structure · Materials Project
Overview

About K1Se2Tl1

K1Se2Tl1 is a complex ternary chalcogenide that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that is well-suited for systematic investigation in solid-state chemistry.

The compound is characterized by a diverse structural landscape, with numerous reported configurations across crystallographic databases. This structural flexibility makes it a compelling candidate for researchers exploring the intersection of alkali, post-transition metal, and chalcogen chemistry.

At a glance

Key Properties

Cross-validated computational properties for K1Se2Tl1, aggregated across 2 databases.

Band Gap

1.36 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

26
2 databases, 17 space groups
Uses

Applications

Where K1Se2Tl1 is used.

Solid-state researchMaterials characterizationSemiconductor development
Reference

Frequently Asked Questions

Common questions about K1Se2Tl1, answered from cross-validated data.

What is K1Se2Tl1?

K1Se2Tl1 is a stable, semiconducting ternary compound containing potassium, selenium, and thallium.

More questions
What is K1Se2Tl1 used for?
K1Se2Tl1 is used in solid-state research, materials characterization, and semiconductor development.
What is the band gap of K1Se2Tl1?
K1Se2Tl1 has a DFT-computed band gap of 1.36 eV across 26 reported structures.
Is K1Se2Tl1 a metal, semiconductor, or insulator?
With a band gap up to 1.36 eV it is a semiconductor.
Is K1Se2Tl1 thermodynamically stable?
Yes — K1Se2Tl1 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of K1Se2Tl1 are known?
26 structures of K1Se2Tl1 are reported across 2 databases, spanning 17 distinct space groups.
What elements does K1Se2Tl1 contain?
K1Se2Tl1 contains K, Se, and Tl (3 elements).
Where does the data for K1Se2Tl1 come from?
K1Se2Tl1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, K1Se2Tl1 serves as a foundational example of stability within its chemical space. While it does not share its specific stoichiometry with common siblings, its presence on the convex hull highlights its significance as a baseline material for studying the electronic properties of complex thallium-based selenides.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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