Na3SbF6

Na3SbF6 is a wide-band-gap insulating compound containing sodium, antimony, and fluorine that exhibits multiple structural variations.

FNaSb
Crystal structure of Na3SbF6
Ground-state structure · Materials Project
Overview

About Na3SbF6

Na3SbF6 is a complex fluoride compound composed of sodium, antimony, and fluorine. As a wide-band-gap insulator, it exhibits distinct electronic properties characteristic of highly ionic fluoride frameworks.

While it has been documented across multiple structural databases, the compound is characterized as being above the thermodynamic hull. This suggests that while it can be synthesized and studied in various structural forms, it may require specific conditions to maintain stability compared to more robust phases.

At a glance

Key Properties

Cross-validated computational properties for Na3SbF6, aggregated across 3 databases.

Band Gap

3.21–3.66 eV
Range across DFT structures

Energy Above Hull

0.165 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

10
3 databases, 2 space groups
Uses

Applications

Where Na3SbF6 is used.

Solid-state chemistry researchFundamental materials science studies
Reference

Frequently Asked Questions

Common questions about Na3SbF6, answered from cross-validated data.

What is Na3SbF6?

Na3SbF6 is a wide-band-gap insulating compound containing sodium, antimony, and fluorine that exhibits multiple structural variations.

More questions
What is Na3SbF6 used for?
Na3SbF6 is used in solid-state chemistry research and fundamental materials science studies.
What is the band gap of Na3SbF6?
Na3SbF6 has a DFT-computed band gap of 3.21–3.66 eV across 10 reported structures.
Is Na3SbF6 a metal, semiconductor, or insulator?
With a wide band gap up to 3.66 eV it is an insulator / wide-band-gap material.
Is Na3SbF6 thermodynamically stable?
Na3SbF6 has a lowest energy above hull of 0.165 eV/atom (above hull).
How many polymorphs of Na3SbF6 are known?
10 structures of Na3SbF6 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Na3SbF6 contain?
Na3SbF6 contains F, Na, and Sb (3 elements).
Where does the data for Na3SbF6 come from?
Na3SbF6 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique fluoride phase, Na3SbF6 represents a specialized composition within the broader family of complex sodium-antimony halides. Unlike more common, highly stable binary fluorides, this compound occupies a distinct position in the chemical space, serving as a subject of interest for researchers investigating metastable inorganic structures.

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

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