MgTiN2

MgTiN2 is a thermodynamically stable semiconducting nitride compound characterized by its robust structural framework.

MgNTi
Crystal structure of MgTiN2
Ground-state structure · Materials Project
Overview

About MgTiN2

MgTiN2 is a thermodynamically stable nitride compound that sits directly on the convex hull, indicating significant structural robustness. As a semiconducting material, it represents a compelling candidate for electronic and optoelectronic applications where stable, nitrogen-based frameworks are required.

Its existence across multiple reported structures highlights its versatility and the interest it commands in materials discovery. By leveraging the unique coordination of magnesium and titanium within a nitrogen lattice, this compound serves as a foundational block for developing next-generation functional materials.

At a glance

Key Properties

Cross-validated computational properties for MgTiN2, aggregated across 3 databases.

Band Gap

0.37–1.19 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

9
3 databases, 2 space groups
Uses

Applications

Where MgTiN2 is used.

Semiconductor researchOptoelectronic material developmentMaterials science exploration
Reference

Frequently Asked Questions

Common questions about MgTiN2, answered from cross-validated data.

What is MgTiN2?

MgTiN2 is a thermodynamically stable semiconducting nitride compound characterized by its robust structural framework.

More questions
What is MgTiN2 used for?
MgTiN2 is used in semiconductor research, optoelectronic material development, and materials science exploration.
What is the band gap of MgTiN2?
MgTiN2 has a DFT-computed band gap of 0.37–1.19 eV across 9 reported structures.
Is MgTiN2 a metal, semiconductor, or insulator?
With a band gap up to 1.19 eV it is a semiconductor.
Is MgTiN2 thermodynamically stable?
Yes — MgTiN2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of MgTiN2 are known?
9 structures of MgTiN2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does MgTiN2 contain?
MgTiN2 contains Mg, N, and Ti (3 elements).
Where does the data for MgTiN2 come from?
MgTiN2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a stable semiconducting nitride, MgTiN2 occupies a distinct niche in materials science, serving as a primary example of how transition metal and alkaline earth combinations can yield highly stable, functional crystalline architectures.

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

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