Na2TiF6

Na2TiF6 is a thermodynamically stable, wide-band-gap insulating compound composed of sodium, titanium, and fluorine.

FNaTi
Crystal structure of Na2TiF6
Ground-state structure · Materials Project
Overview

About Na2TiF6

Na2TiF6 is a thermodynamically stable inorganic compound characterized by its insulating electronic nature. As a member of the fluoride family, it exhibits significant structural diversity, with numerous reported configurations across various databases that highlight its versatility in solid-state chemistry.

Its stability on the convex hull makes it a robust candidate for research into fluoride-based materials. The wide-band-gap nature of the compound suggests it may be suitable for applications requiring electrical insulation or specific optical properties where electronic conductivity must be minimized.

At a glance

Key Properties

Cross-validated computational properties for Na2TiF6, aggregated across 3 databases.

Band Gap

4.18–4.67 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

10
3 databases, 2 space groups
Uses

Applications

Where Na2TiF6 is used.

Materials science researchSolid-state chemistry studiesFluoride-based material development
Reference

Frequently Asked Questions

Common questions about Na2TiF6, answered from cross-validated data.

What is Na2TiF6?

Na2TiF6 is a thermodynamically stable, wide-band-gap insulating compound composed of sodium, titanium, and fluorine.

More questions
What is Na2TiF6 used for?
Na2TiF6 is used in materials science research, solid-state chemistry studies, and fluoride-based material development.
What is the band gap of Na2TiF6?
Na2TiF6 has a DFT-computed band gap of 4.18–4.67 eV across 10 reported structures.
Is Na2TiF6 a metal, semiconductor, or insulator?
With a wide band gap up to 4.67 eV it is an insulator / wide-band-gap material.
Is Na2TiF6 thermodynamically stable?
Yes — Na2TiF6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Na2TiF6 are known?
10 structures of Na2TiF6 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Na2TiF6 contain?
Na2TiF6 contains F, Na, and Ti (3 elements).
Where does the data for Na2TiF6 come from?
Na2TiF6 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a stable fluoride compound, Na2TiF6 serves as a representative example of how alkali and transition metal combinations can form robust, insulating lattice structures. While it exists as a distinct chemical entity, it shares the fundamental characteristics of stability and insulating behavior common to many complex metal fluorides used in specialized chemical and materials research.

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

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