Cu2Hf2Se6Tl2

Cu2Hf2Se6Tl2 is a stable, semiconducting quaternary chalcogenide material used in fundamental solid-state research.

CuHfSeTl
Crystal structure of Cu2Hf2Se6Tl2
Ground-state structure · Materials Project
Overview

About Cu2Hf2Se6Tl2

Cu2Hf2Se6Tl2 is a complex quaternary chalcogenide that exists as a thermodynamically stable phase on the convex hull. Its electronic character identifies it as a semiconductor, making it a subject of interest for researchers investigating new functional materials with tunable optoelectronic properties.

Because it is a stable member of the copper-hafnium-selenium-thallium system, this compound is valuable for fundamental studies into structural diversity. With multiple reported structures across databases, it serves as a key reference point for understanding how these elements arrange themselves in solid-state configurations.

At a glance

Key Properties

Cross-validated computational properties for Cu2Hf2Se6Tl2, aggregated across 3 databases.

Band Gap

0.42 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

3
3 databases, 1 space group
Uses

Applications

Where Cu2Hf2Se6Tl2 is used.

Semiconductor researchSolid-state chemistry studiesMaterials discovery
Reference

Frequently Asked Questions

Common questions about Cu2Hf2Se6Tl2, answered from cross-validated data.

What is Cu2Hf2Se6Tl2?

Cu2Hf2Se6Tl2 is a stable, semiconducting quaternary chalcogenide material used in fundamental solid-state research.

More questions
What is Cu2Hf2Se6Tl2 used for?
Cu2Hf2Se6Tl2 is used in semiconductor research, solid-state chemistry studies, and materials discovery.
What is the band gap of Cu2Hf2Se6Tl2?
Cu2Hf2Se6Tl2 has a DFT-computed band gap of 0.42 eV across 3 reported structures.
Is Cu2Hf2Se6Tl2 a metal, semiconductor, or insulator?
With a band gap up to 0.42 eV it is a semiconductor.
Is Cu2Hf2Se6Tl2 thermodynamically stable?
Yes — Cu2Hf2Se6Tl2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Cu2Hf2Se6Tl2 are known?
3 structures of Cu2Hf2Se6Tl2 are reported across 3 databases, spanning 1 distinct space group.
What elements does Cu2Hf2Se6Tl2 contain?
Cu2Hf2Se6Tl2 contains Cu, Hf, Se, and Tl (4 elements).
Where does the data for Cu2Hf2Se6Tl2 come from?
Cu2Hf2Se6Tl2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique quaternary compound, Cu2Hf2Se6Tl2 occupies a distinct position in materials science where its stability and semiconducting nature provide a foundation for exploring complex chalcogenide chemistry in the absence of more common binary or ternary analogs.

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

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