Mg3MoN4

Mg3MoN4 is a thermodynamically stable semiconducting ternary nitride used in advanced materials research.

MgMoN
Crystal structure of Mg3MoN4
Ground-state structure · Materials Project
Overview

About Mg3MoN4

Mg3MoN4 is a complex ternary nitride that occupies a stable position on the thermodynamic convex hull, indicating significant structural resilience. As a semiconducting material, it represents an intriguing candidate for electronic and optoelectronic research where specific band-gap tuning is required.

Its existence as a well-documented phase across multiple databases highlights its importance in the study of transition metal nitrides. The material is primarily utilized in fundamental research aimed at expanding the library of stable, functional semiconductors for next-generation device applications.

At a glance

Key Properties

Cross-validated computational properties for Mg3MoN4, aggregated across 3 databases.

Band Gap

1.72–2.96 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

14
3 databases, 4 space groups
Uses

Applications

Where Mg3MoN4 is used.

Semiconductor researchOptoelectronic material developmentTransition metal nitride study
Reference

Frequently Asked Questions

Common questions about Mg3MoN4, answered from cross-validated data.

What is Mg3MoN4?

Mg3MoN4 is a thermodynamically stable semiconducting ternary nitride used in advanced materials research.

More questions
What is Mg3MoN4 used for?
Mg3MoN4 is used in semiconductor research, optoelectronic material development, and transition metal nitride study.
What is the band gap of Mg3MoN4?
Mg3MoN4 has a DFT-computed band gap of 1.72–2.96 eV across 14 reported structures.
Is Mg3MoN4 a metal, semiconductor, or insulator?
With a band gap up to 2.96 eV it is a semiconductor.
Is Mg3MoN4 thermodynamically stable?
Yes — Mg3MoN4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Mg3MoN4 are known?
14 structures of Mg3MoN4 are reported across 3 databases, spanning 4 distinct space groups.
What elements does Mg3MoN4 contain?
Mg3MoN4 contains Mg, Mo, and N (3 elements).
Where does the data for Mg3MoN4 come from?
Mg3MoN4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a thermodynamically stable ternary nitride, Mg3MoN4 serves as a benchmark for stability within the broader class of magnesium-molybdenum-nitrogen systems, providing a robust structural framework for exploring semiconducting behavior in complex nitrides.

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

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