Ba3MgNb2O9

Ba3MgNb2O9 is a stable, semiconducting complex oxide used in the development of lead-free piezoelectric materials for electronic devices.

Crystal structure of Ba3MgNb2O9 (trigonal, P-3m1 (No. 164))
Ground-state structure · Materials Project
Overview

About Ba3MgNb2O9

Ba3MgNb2O9 is a complex oxide belonging to the lead-free piezoelectric class of materials. As a thermodynamically stable compound residing on the convex hull, it exhibits robust structural integrity, supported by multiple reported structural variations across material databases. Its semiconducting electronic character makes it an intriguing candidate for specialized dielectric and electromechanical applications where lead-based alternatives are undesirable.

This material is valued for its potential in high-performance electronic components that require stable piezoelectric responses. By leveraging its unique lattice arrangement, researchers utilize this compound to explore lead-free alternatives in sensing and actuation technologies, bridging the gap between traditional perovskite-like structures and modern functional ceramics.

At a glance

Key Properties

Cross-validated computational properties for Ba3MgNb2O9, aggregated across 3 databases.

Band Gap

2.65 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Ba3MgNb2O9, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P-3m1 (No. 164)trigonal2.650.0000-8.0745.94
P-3m1 (No. 164)
P-3m1 (No. 164)Trigonal5.94
P-3m1 (No. 164)Trigonal6.25
P-3m1 (No. 164)Trigonal6.07
Uses

Applications

Where Ba3MgNb2O9 is used.

Piezoelectric sensorsDielectric resonatorsLead-free electromechanical actuators
Reference

Frequently Asked Questions

Common questions about Ba3MgNb2O9, answered from cross-validated data.

What is Ba3MgNb2O9?

Ba3MgNb2O9 is a stable, semiconducting complex oxide used in the development of lead-free piezoelectric materials for electronic devices.

More questions
What is Ba3MgNb2O9 used for?
Ba3MgNb2O9 is used in piezoelectric sensors, dielectric resonators, and lead-free electromechanical actuators.
What is the band gap of Ba3MgNb2O9?
Ba3MgNb2O9 has a DFT-computed band gap of 2.65 eV across 5 reported structures.
Is Ba3MgNb2O9 a metal, semiconductor, or insulator?
With a band gap up to 2.65 eV it is a semiconductor.
Is Ba3MgNb2O9 thermodynamically stable?
Yes — Ba3MgNb2O9 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ba3MgNb2O9?
The lowest-energy reported polymorph of Ba3MgNb2O9 is trigonal symmetry, space group P-3m1 (No. 164).
What is the density of Ba3MgNb2O9?
The computed density of the ground-state structure of Ba3MgNb2O9 is 5.94 g/cm³.
How many polymorphs of Ba3MgNb2O9 are known?
5 structures of Ba3MgNb2O9 are reported across 3 databases, spanning 1 distinct space group.
What elements does Ba3MgNb2O9 contain?
Ba3MgNb2O9 contains Ba, Mg, Nb, and O (4 elements).
Where does the data for Ba3MgNb2O9 come from?
Ba3MgNb2O9 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

Within the lead-free piezoelectrics class.

Within the diverse family of lead-free piezoelectrics, Ba3MgNb2O9 offers a distinct structural complexity compared to simpler perovskites like BaTiO3 or KNbO3. While materials such as BaTiO3 are widely recognized for their high electromechanical coupling, Ba3MgNb2O9 provides a different chemical framework that allows for greater compositional tuning, positioning it as a specialized alternative to the more common niobate and titanate-based systems like NaNbO3 or KTaO3.

Explore

Related Compounds

Other Lead-Free Piezoelectrics in the database.

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

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