MgTi3

MgTi3 is a metastable, semimetallic magnesium-titanium compound studied for its complex structural behavior.

MgTi
Crystal structure of MgTi3
Ground-state structure · Materials Project
Overview

About MgTi3

MgTi3 is a metastable intermetallic compound composed of magnesium and titanium. It exhibits a semimetallic electronic character, placing it in a unique regime where its conductivity properties are highly sensitive to its specific atomic arrangement.

Given its status as a metastable phase, this material is of significant interest for researchers studying phase stability and structural evolution. Its existence across multiple databases highlights its importance as a subject of computational and experimental exploration in materials science.

At a glance

Key Properties

Cross-validated computational properties for MgTi3, aggregated across 5 databases.

Band Gap

0.01 eV
Range across DFT structures

Energy Above Hull

0.096 eV/atom
Best (lowest) across sources

Stability

Metastable
4 DFT sources

Structures

67
5 databases, 17 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting MgTi3.

Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where MgTi3 is used.

Materials science researchPhase stability studiesAlloy development research
Reference

Frequently Asked Questions

Common questions about MgTi3, answered from cross-validated data.

What is MgTi3?

MgTi3 is a metastable, semimetallic magnesium-titanium compound studied for its complex structural behavior.

More questions
What is MgTi3 used for?
MgTi3 is used in materials science research, phase stability studies, and alloy development research.
What is the band gap of MgTi3?
MgTi3 has a DFT-computed band gap of 0.01 eV across 67 reported structures.
Is MgTi3 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is MgTi3 thermodynamically stable?
MgTi3 has a lowest energy above hull of 0.096 eV/atom (metastable).
How many polymorphs of MgTi3 are known?
67 structures of MgTi3 are reported across 5 databases, spanning 17 distinct space groups.
How is MgTi3 synthesized?
Literature-reported routes for MgTi3 include solid state (9 procedures documented).
What elements does MgTi3 contain?
MgTi3 contains Mg and Ti (2 elements).
Where does the data for MgTi3 come from?
MgTi3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique magnesium-titanium intermetallic, MgTi3 represents a distinct structural configuration within the binary system. It serves as a focal point for understanding how metastable phases can be synthesized and stabilized compared to more common equilibrium alloys.

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

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