Hf2Se6Tl4

Hf2Se6Tl4 is a thermodynamically stable semiconducting compound composed of hafnium, selenium, and thallium.

HfSeTl
Crystal structure of Hf2Se6Tl4
Ground-state structure · Materials Project
Overview

About Hf2Se6Tl4

Hf2Se6Tl4 is a complex inorganic compound characterized by its semiconducting electronic nature. As a material that resides on the convex hull, it exhibits significant thermodynamic stability, making it a robust candidate for structural and electronic investigations.

This material is of interest to researchers exploring chalcogenide systems where hafnium and thallium interact within a selenium framework. Its existence across multiple structural databases underscores its importance as a well-defined phase in materials discovery.

At a glance

Key Properties

Cross-validated computational properties for Hf2Se6Tl4, aggregated across 4 databases.

Band Gap

0.70 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

4
4 databases, 2 space groups
Uses

Applications

Where Hf2Se6Tl4 is used.

Semiconductor researchSolid-state chemistryMaterials science exploration
Reference

Frequently Asked Questions

Common questions about Hf2Se6Tl4, answered from cross-validated data.

What is Hf2Se6Tl4?

Hf2Se6Tl4 is a thermodynamically stable semiconducting compound composed of hafnium, selenium, and thallium.

More questions
What is Hf2Se6Tl4 used for?
Hf2Se6Tl4 is used in semiconductor research, solid-state chemistry, and materials science exploration.
What is the band gap of Hf2Se6Tl4?
Hf2Se6Tl4 has a DFT-computed band gap of 0.70 eV across 4 reported structures.
Is Hf2Se6Tl4 a metal, semiconductor, or insulator?
With a band gap up to 0.70 eV it is a semiconductor.
Is Hf2Se6Tl4 thermodynamically stable?
Yes — Hf2Se6Tl4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Hf2Se6Tl4 are known?
4 structures of Hf2Se6Tl4 are reported across 4 databases, spanning 2 distinct space groups.
What elements does Hf2Se6Tl4 contain?
Hf2Se6Tl4 contains Hf, Se, and Tl (3 elements).
Where does the data for Hf2Se6Tl4 come from?
Hf2Se6Tl4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique phase within its chemical system, Hf2Se6Tl4 serves as a foundational example of stable hafnium-thallium-selenide chemistry, providing a baseline for understanding the electronic behavior of complex semiconducting chalcogenides.

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

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