TlSbF6

TlSbF6 is a thermodynamically stable, wide-band-gap insulating compound composed of thallium, antimony, and fluorine.

FSbTl
Crystal structure of TlSbF6
Ground-state structure · Materials Project
Overview

About TlSbF6

TlSbF6 is a complex inorganic compound characterized by its wide-band-gap insulating nature. As a thermodynamically stable phase residing on the convex hull, it represents a well-defined structural arrangement of thallium, antimony, and fluorine atoms. Its electronic properties suggest potential utility in specialized dielectric or optical applications where high stability is required.

The material is notable for its structural diversity, with multiple reported configurations across various databases. This indicates a complex potential energy landscape that allows for different crystalline forms, making it a subject of interest for researchers studying structural phase transitions in heavy-metal fluoride systems.

At a glance

Key Properties

Cross-validated computational properties for TlSbF6, aggregated across 4 databases.

Band Gap

4.33 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

6
4 databases, 3 space groups
Uses

Applications

Where TlSbF6 is used.

Dielectric materials researchOptical materials developmentSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about TlSbF6, answered from cross-validated data.

What is TlSbF6?

TlSbF6 is a thermodynamically stable, wide-band-gap insulating compound composed of thallium, antimony, and fluorine.

More questions
What is TlSbF6 used for?
TlSbF6 is used in dielectric materials research, optical materials development, and solid-state chemistry studies.
What is the band gap of TlSbF6?
TlSbF6 has a DFT-computed band gap of 4.33 eV across 6 reported structures.
Is TlSbF6 a metal, semiconductor, or insulator?
With a wide band gap up to 4.33 eV it is an insulator / wide-band-gap material.
Is TlSbF6 thermodynamically stable?
Yes — TlSbF6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of TlSbF6 are known?
6 structures of TlSbF6 are reported across 4 databases, spanning 3 distinct space groups.
What elements does TlSbF6 contain?
TlSbF6 contains F, Sb, and Tl (3 elements).
Where does the data for TlSbF6 come from?
TlSbF6 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic fluoride, TlSbF6 serves as a representative example of stable, insulating complex salts. While it currently stands as a distinct entry without direct siblings in this specific dataset, its behavior provides a benchmark for understanding how heavy cations like thallium influence the stability and insulating characteristics of complex antimony-fluoride networks.

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

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