N6Ta2Th2

N6Ta2Th2 is a stable, semiconducting ternary nitride containing tantalum and thorium.

NTaTh
Crystal structure of N6Ta2Th2
Ground-state structure · Materials Project
Overview

About N6Ta2Th2

N6Ta2Th2 is a complex ternary nitride composed of tantalum and thorium. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions.

This material exhibits semiconducting electronic character, making it a subject of interest for researchers investigating specialized electronic or optoelectronic applications. Its unique composition of transition and actinide metals suggests potential for advanced materials design in high-performance environments.

At a glance

Key Properties

Cross-validated computational properties for N6Ta2Th2, aggregated across 3 databases.

Band Gap

0.08–0.40 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

7
3 databases, 4 space groups
Uses

Applications

Where N6Ta2Th2 is used.

Semiconductor researchMaterials science explorationAdvanced inorganic synthesis
Reference

Frequently Asked Questions

Common questions about N6Ta2Th2, answered from cross-validated data.

What is N6Ta2Th2?

N6Ta2Th2 is a stable, semiconducting ternary nitride containing tantalum and thorium.

More questions
What is N6Ta2Th2 used for?
N6Ta2Th2 is used in semiconductor research, materials science exploration, and advanced inorganic synthesis.
What is the band gap of N6Ta2Th2?
N6Ta2Th2 has a DFT-computed band gap of 0.08–0.40 eV across 7 reported structures.
Is N6Ta2Th2 a metal, semiconductor, or insulator?
With a band gap up to 0.40 eV it is a semiconductor.
Is N6Ta2Th2 thermodynamically stable?
Yes — N6Ta2Th2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of N6Ta2Th2 are known?
7 structures of N6Ta2Th2 are reported across 3 databases, spanning 4 distinct space groups.
What elements does N6Ta2Th2 contain?
N6Ta2Th2 contains N, Ta, and Th (3 elements).
Where does the data for N6Ta2Th2 come from?
N6Ta2Th2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct ternary nitride, N6Ta2Th2 occupies a specialized niche within the broader family of metal nitrides. Unlike more common binary nitrides, this compound leverages the interplay between tantalum and thorium to achieve a stable semiconducting state, serving as a unique reference point for future studies in complex multimetallic nitride systems.

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

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