NaAlF4

NaAlF4 is an insulating, ternary fluoride compound that exhibits structural diversity and thermodynamic stability.

AlFNa
Crystal structure of NaAlF4
Ground-state structure · Materials Project
Overview

About NaAlF4

NaAlF4 is a complex fluoride material characterized by its wide-band-gap insulating electronic profile. Its structural versatility is evidenced by the numerous reported configurations found across major materials databases, highlighting its potential for diverse crystalline arrangements.

As a thermodynamically stable compound near the convex hull, it remains a subject of interest for researchers exploring stable inorganic fluoride frameworks. Its insulating nature and structural accessibility suggest utility in high-performance chemical processing and materials engineering.

At a glance

Key Properties

Cross-validated computational properties for NaAlF4, aggregated across 3 databases.

Band Gap

5.78–6.68 eV
Range across DFT structures

Energy Above Hull

0.002 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

11
3 databases, 2 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting NaAlF4.

Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where NaAlF4 is used.

Chemical synthesisMaterials science researchFluoride-based electrolyte studies
Reference

Frequently Asked Questions

Common questions about NaAlF4, answered from cross-validated data.

What is NaAlF4?

NaAlF4 is an insulating, ternary fluoride compound that exhibits structural diversity and thermodynamic stability.

More questions
What is NaAlF4 used for?
NaAlF4 is used in chemical synthesis, materials science research, and fluoride-based electrolyte studies.
What is the band gap of NaAlF4?
NaAlF4 has a DFT-computed band gap of 5.78–6.68 eV across 11 reported structures.
Is NaAlF4 a metal, semiconductor, or insulator?
With a wide band gap up to 6.68 eV it is an insulator / wide-band-gap material.
Is NaAlF4 thermodynamically stable?
NaAlF4 has a lowest energy above hull of 0.002 eV/atom (near hull (likely stable)).
How many polymorphs of NaAlF4 are known?
11 structures of NaAlF4 are reported across 3 databases, spanning 2 distinct space groups.
How is NaAlF4 synthesized?
Literature-reported routes for NaAlF4 include solid state (2 procedures documented).
What elements does NaAlF4 contain?
NaAlF4 contains Al, F, and Na (3 elements).
Where does the data for NaAlF4 come from?
NaAlF4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a standalone member in this context, NaAlF4 represents a significant example of a complex alkali-aluminum fluoride. Its ability to maintain structural stability while existing in multiple configurations positions it as a key reference point for studying the fundamental properties of ternary fluoride systems.

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

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