As12Ba12O4Ta4

As12Ba12O4Ta4 is a stable, semiconducting lead-free piezoelectric compound used in the development of advanced electronic materials.

Crystal structure of As12Ba12O4Ta4
Ground-state structure · Materials Project
Overview

About As12Ba12O4Ta4

As12Ba12O4Ta4 is a complex inorganic compound that functions as a lead-free piezoelectric material. Characterized by its semiconducting electronic nature, this compound sits firmly on the thermodynamic convex hull, indicating inherent stability that makes it a compelling subject for materials research. Its specific structural arrangement allows it to participate in the broader class of materials sought after for environmentally friendly electromechanical applications. By leveraging the interplay between its constituent elements, this material offers a distinct electronic profile suitable for specialized functional device development. Its stability ensures that it remains a reliable candidate for further experimental investigation in the pursuit of high-performance, non-toxic piezoelectric alternatives.

At a glance

Key Properties

Cross-validated computational properties for As12Ba12O4Ta4, aggregated across 3 databases.

Band Gap

1.32 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

3
3 databases, 1 space group
Uses

Applications

Where As12Ba12O4Ta4 is used.

Piezoelectric sensorsLead-free electromechanical actuatorsAdvanced electronic components
Reference

Frequently Asked Questions

Common questions about As12Ba12O4Ta4, answered from cross-validated data.

What is As12Ba12O4Ta4?

As12Ba12O4Ta4 is a stable, semiconducting lead-free piezoelectric compound used in the development of advanced electronic materials.

More questions
What is As12Ba12O4Ta4 used for?
As12Ba12O4Ta4 is used in piezoelectric sensors, lead-free electromechanical actuators, and advanced electronic components.
What is the band gap of As12Ba12O4Ta4?
As12Ba12O4Ta4 has a DFT-computed band gap of 1.32 eV across 3 reported structures.
Is As12Ba12O4Ta4 a metal, semiconductor, or insulator?
With a band gap up to 1.32 eV it is a semiconductor.
Is As12Ba12O4Ta4 thermodynamically stable?
Yes — As12Ba12O4Ta4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of As12Ba12O4Ta4 are known?
3 structures of As12Ba12O4Ta4 are reported across 3 databases, spanning 1 distinct space group.
What elements does As12Ba12O4Ta4 contain?
As12Ba12O4Ta4 contains As, Ba, O, and Ta (4 elements).
Where does the data for As12Ba12O4Ta4 come from?
As12Ba12O4Ta4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lead-free piezoelectrics class.

Within the diverse landscape of lead-free piezoelectrics, As12Ba12O4Ta4 represents a more complex, multi-element alternative to the simpler perovskite structures like BaTiO3 or KTaO3. While traditional members like BaTiO3 are widely utilized for their well-understood ferroelectric properties, this compound provides a different structural framework that may offer unique polarization characteristics or electronic advantages in specific device architectures.

Explore

Related Compounds

Other Lead-Free Piezoelectrics in the database.

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

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