AlTlF4

AlTlF4 is a stable, wide-band-gap insulating compound composed of aluminum, thallium, and fluorine.

AlFTl
Crystal structure of AlTlF4
Ground-state structure · Materials Project
Overview

About AlTlF4

AlTlF4 is a distinct fluoride compound characterized by its insulating electronic nature and wide band gap. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration within its chemical system.

This material is notable for its structural diversity, supported by multiple reported crystalline forms across major databases. Its stability and electronic properties make it a subject of interest for fundamental research into complex metal-fluoride systems.

At a glance

Key Properties

Cross-validated computational properties for AlTlF4, aggregated across 3 databases.

Band Gap

4.24–4.43 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

12
3 databases, 3 space groups
Reference

Frequently Asked Questions

Common questions about AlTlF4, answered from cross-validated data.

What is AlTlF4?

AlTlF4 is a stable, wide-band-gap insulating compound composed of aluminum, thallium, and fluorine.

More questions
What is the band gap of AlTlF4?
AlTlF4 has a DFT-computed band gap of 4.24–4.43 eV across 12 reported structures.
Is AlTlF4 a metal, semiconductor, or insulator?
With a wide band gap up to 4.43 eV it is an insulator / wide-band-gap material.
Is AlTlF4 thermodynamically stable?
Yes — AlTlF4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of AlTlF4 are known?
12 structures of AlTlF4 are reported across 3 databases, spanning 3 distinct space groups.
What elements does AlTlF4 contain?
AlTlF4 contains Al, F, and Tl (3 elements).
Where does the data for AlTlF4 come from?
AlTlF4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique member of its chemical family, AlTlF4 serves as a benchmark for stability and structural complexity in aluminum-thallium-fluoride systems, providing a stable reference point for exploring the broader landscape of insulating fluoride materials.

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

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