KAlF4

KAlF4 is a stable, insulating fluoride compound known for its structural variety and potential utility in advanced materials research.

AlFK
Crystal structure of KAlF4
Ground-state structure · Materials Project
Overview

About KAlF4

KAlF4 is a complex fluoride characterized by its wide-band-gap insulating electronic profile. As a thermodynamically stable phase, it occupies a secure position on the convex hull, indicating significant structural robustness under standard conditions.

With numerous reported structures across multiple databases, this compound serves as a key subject for understanding the coordination chemistry of aluminum-fluoride frameworks. Its stability and insulating nature make it an intriguing candidate for specialized applications in materials research.

At a glance

Key Properties

Cross-validated computational properties for KAlF4, aggregated across 3 databases.

Band Gap

6.79–6.96 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

16
3 databases, 4 space groups
Uses

Applications

Where KAlF4 is used.

Materials science researchFluoride-based structural studiesSolid-state chemistry investigations
Reference

Frequently Asked Questions

Common questions about KAlF4, answered from cross-validated data.

What is KAlF4?

KAlF4 is a stable, insulating fluoride compound known for its structural variety and potential utility in advanced materials research.

More questions
What is KAlF4 used for?
KAlF4 is used in materials science research, fluoride-based structural studies, and solid-state chemistry investigations.
What is the band gap of KAlF4?
KAlF4 has a DFT-computed band gap of 6.79–6.96 eV across 16 reported structures.
Is KAlF4 a metal, semiconductor, or insulator?
With a wide band gap up to 6.96 eV it is an insulator / wide-band-gap material.
Is KAlF4 thermodynamically stable?
Yes — KAlF4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of KAlF4 are known?
16 structures of KAlF4 are reported across 3 databases, spanning 4 distinct space groups.
What elements does KAlF4 contain?
KAlF4 contains Al, F, and K (3 elements).
Where does the data for KAlF4 come from?
KAlF4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct fluoride compound, KAlF4 represents a foundational example of stable ternary aluminum-based halides. While it stands as a unique entity in this specific dataset, its structural diversity and thermodynamic stability provide a baseline for evaluating the behavior of similar complex fluoride systems.

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

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