Th3N4

Th3N4 is a thermodynamically stable, semiconducting binary nitride of thorium used in solid-state materials research.

NTh
Crystal structure of Th3N4
Ground-state structure · Materials Project
Overview

About Th3N4

Th3N4 is a thorium-based nitride that exhibits semiconducting electronic behavior. As a thermodynamically stable compound residing on the convex hull, it represents a robust phase within the thorium-nitrogen system, drawing significant interest for its structural integrity and potential for specialized electronic applications.

With multiple reported structures documented across various databases, this material is a subject of ongoing investigation in solid-state chemistry. Its stability and distinct electronic character make it a compelling candidate for researchers exploring the synthesis and characterization of actinide-based semiconductors.

At a glance

Key Properties

Cross-validated computational properties for Th3N4, aggregated across 3 databases.

Band Gap

1.44 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
Uses

Applications

Where Th3N4 is used.

Fundamental solid-state materials researchActinide chemistry studies
Reference

Frequently Asked Questions

Common questions about Th3N4, answered from cross-validated data.

What is Th3N4?

Th3N4 is a thermodynamically stable, semiconducting binary nitride of thorium used in solid-state materials research.

More questions
What is Th3N4 used for?
Th3N4 is used in fundamental solid-state materials research and actinide chemistry studies.
What is the band gap of Th3N4?
Th3N4 has a DFT-computed band gap of 1.44 eV across 8 reported structures.
Is Th3N4 a metal, semiconductor, or insulator?
With a band gap up to 1.44 eV it is a semiconductor.
Is Th3N4 thermodynamically stable?
Yes — Th3N4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Th3N4 are known?
8 structures of Th3N4 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Th3N4 contain?
Th3N4 contains N and Th (2 elements).
Where does the data for Th3N4 come from?
Th3N4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a thermodynamically stable thorium nitride, Th3N4 occupies a unique position in the landscape of actinide binary compounds. It serves as a primary reference point for understanding the bonding and structural diversity of nitrogen-rich thorium phases, providing a baseline for future explorations into more complex actinide-based material systems.

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

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