NdTaO4

NdTaO4 is a stable, insulating perovskite-related oxide used in advanced materials research for its robust structural properties.

Crystal structure of NdTaO4
Ground-state structure · Materials Project
Overview

About NdTaO4

NdTaO4 is a thermodynamically stable oxide belonging to the perovskite-related family. As a wide-gap insulator, it exhibits robust electronic properties that make it a subject of interest for structural and functional material studies. Its presence on the convex hull suggests high stability, which is critical for long-term performance in demanding environments. The compound is characterized by its structural versatility, evidenced by its appearance in multiple distinct crystallographic configurations across research databases. This structural diversity allows researchers to tune its properties for specific technological needs, particularly where insulating behavior is paramount. It serves as an essential building block for understanding complex oxide systems and their potential in electronic and ceramic applications.

At a glance

Key Properties

Cross-validated computational properties for NdTaO4, aggregated across 3 databases.

Band Gap

3.61–4.03 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

15
3 databases, 3 space groups
Uses

Applications

Where NdTaO4 is used.

Dielectric materials researchHigh-temperature ceramic componentsSolid-state electronics studies
Reference

Frequently Asked Questions

Common questions about NdTaO4, answered from cross-validated data.

What is NdTaO4?

NdTaO4 is a stable, insulating perovskite-related oxide used in advanced materials research for its robust structural properties.

More questions
What is NdTaO4 used for?
NdTaO4 is used in dielectric materials research, high-temperature ceramic components, and solid-state electronics studies.
What is the band gap of NdTaO4?
NdTaO4 has a DFT-computed band gap of 3.61–4.03 eV across 15 reported structures.
Is NdTaO4 a metal, semiconductor, or insulator?
With a wide band gap up to 4.03 eV it is an insulator / wide-band-gap material.
Is NdTaO4 thermodynamically stable?
Yes — NdTaO4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of NdTaO4 are known?
15 structures of NdTaO4 are reported across 3 databases, spanning 3 distinct space groups.
What elements does NdTaO4 contain?
NdTaO4 contains Nd, O, and Ta (3 elements).
Where does the data for NdTaO4 come from?
NdTaO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the perovskite oxides class.

Unlike the highly conductive or magnetic members of the perovskite class like LaNiO3 or LaMnO3, NdTaO4 is defined by its insulating electronic character. While materials such as BaTiO3 are widely utilized for their ferroelectric properties, NdTaO4 distinguishes itself through its stability and distinct structural framework, positioning it as a specialized candidate for applications where high-temperature stability and dielectric performance are required rather than the metallic or magnetic transitions seen in lanthanum-based transition metal oxides.

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Related Compounds

Other Perovskite Oxides in the database.

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

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