NaAl11O17

Beta-alumina · Sodium beta-alumina

NaAl11O17 is a stable, insulating oxide material widely utilized as a solid electrolyte for sodium-ion conduction in electrochemical devices.

Crystal structure of NaAl11O17 (hexagonal, P63/mmc (No. 194))
Ground-state structure · Materials Project
Overview

About Beta-alumina

NaAl11O17 is a structurally distinct oxide known for its robust thermodynamic stability and insulating electronic character. As a member of the broader oxide family, it serves as a critical material for ion transport applications where structural integrity and chemical resistance are paramount.

This compound is widely recognized for its unique ability to facilitate rapid sodium-ion mobility within its crystal lattice. Because of this specialized behavior, it is a foundational material in the development of high-temperature energy storage systems and electrochemical sensors.

At a glance

Key Properties

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

Band Gap

4.37–4.49 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

8
3 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for NaAl11O17, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P63/mmc (No. 194)hexagonal4.490.0000-7.7283.22
R3m (No. 160)trigonal4.450.0024-7.7263.22
Cm (No. 8)monoclinic4.410.0037-7.7243.13
P63/mmc (No. 194)hexagonal4.370.0082-7.7203.12
R3m (No. 160)Trigonal3.13
R3m (No. 160)Trigonal3.32
R3m (No. 160)Trigonal3.22
R3m (No. 160)
Uses

Applications

Where Beta-alumina is used.

Solid-state electrolytesSodium-sulfur batteriesElectrochemical sensorsIon-conducting membranes
Reference

Frequently Asked Questions

Common questions about Beta-alumina, answered from cross-validated data.

What is NaAl11O17?

NaAl11O17 is a stable, insulating oxide material widely utilized as a solid electrolyte for sodium-ion conduction in electrochemical devices.

More questions
What is NaAl11O17 used for?
Beta-alumina (NaAl11O17) is used in solid-state electrolytes, sodium-sulfur batteries, electrochemical sensors, and ion-conducting membranes.
What is the band gap of NaAl11O17?
Beta-alumina (NaAl11O17) has a DFT-computed band gap of 4.37–4.49 eV across 8 reported structures.
Is NaAl11O17 a metal, semiconductor, or insulator?
With a wide band gap up to 4.49 eV it is an insulator / wide-band-gap material.
Is NaAl11O17 thermodynamically stable?
Yes — Beta-alumina (NaAl11O17) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of NaAl11O17?
The lowest-energy reported polymorph of Beta-alumina (NaAl11O17) is hexagonal symmetry, space group P63/mmc (No. 194).
What is the density of NaAl11O17?
The computed density of the ground-state structure of Beta-alumina (NaAl11O17) is 3.22 g/cm³.
How many polymorphs of NaAl11O17 are known?
8 structures of NaAl11O17 are reported across 3 databases, spanning 3 distinct space groups.
What elements does NaAl11O17 contain?
Beta-alumina (NaAl11O17) contains Al, Na, and O (3 elements).
Where does the data for NaAl11O17 come from?
NaAl11O17 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

Within the perovskite oxides class.

Unlike perovskite oxides such as BaTiO3 or LaMnO3, which are frequently studied for their ferroelectric or magnetic properties, NaAl11O17 is primarily valued for its ionic conductivity. While siblings like LaAlO3 are often utilized as substrate materials in thin-film electronics, NaAl11O17 occupies a niche as a functional electrolyte due to its specific structural framework that allows for efficient cation migration.

Explore

Related Compounds

Other Perovskite Oxides in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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