MgNi3

MgNi3 is a metastable metallic intermetallic compound formed from magnesium and nickel that is primarily studied for its complex structural properties.

MgNi
Crystal structure of MgNi3
Ground-state structure · Materials Project
Overview

About MgNi3

MgNi3 is a metallic intermetallic compound composed of magnesium and nickel. As a metastable phase, it represents a complex structural arrangement that has been the subject of significant investigation across multiple materials databases. Its metallic nature suggests high electrical conductivity, making it a point of interest for researchers studying the electronic properties of binary metal systems. The compound is characterized by its structural diversity, with numerous reported configurations that highlight the intricate bonding environment between the magnesium and nickel atoms. This structural richness makes it a valuable model for understanding phase stability and the formation of metastable intermetallics in transition metal alloys.

At a glance

Key Properties

Cross-validated computational properties for MgNi3, aggregated across 5 databases.

Band Gap

Metallic / not reported

Energy Above Hull

0.094 eV/atom
Best (lowest) across sources

Stability

Metastable
4 DFT sources

Structures

19
5 databases, 4 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting MgNi3.

Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where MgNi3 is used.

Materials science researchFundamental alloy studiesPhase stability investigations
Reference

Frequently Asked Questions

Common questions about MgNi3, answered from cross-validated data.

What is MgNi3?

MgNi3 is a metastable metallic intermetallic compound formed from magnesium and nickel that is primarily studied for its complex structural properties.

More questions
What is MgNi3 used for?
MgNi3 is used in materials science research, fundamental alloy studies, and phase stability investigations.
What is the band gap of MgNi3?
MgNi3 is computed to be metallic (no band gap) in the reported DFT structures.
Is MgNi3 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is MgNi3 thermodynamically stable?
MgNi3 has a lowest energy above hull of 0.094 eV/atom (metastable).
How many polymorphs of MgNi3 are known?
19 structures of MgNi3 are reported across 5 databases, spanning 4 distinct space groups.
How is MgNi3 synthesized?
Literature-reported routes for MgNi3 include solid state.
What elements does MgNi3 contain?
MgNi3 contains Mg and Ni (2 elements).
Where does the data for MgNi3 come from?
MgNi3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a standalone intermetallic system, MgNi3 serves as a primary example of metastable binary phases that challenge conventional thermodynamic predictions. Unlike more stable, naturally occurring alloys, this compound occupies a unique position in materials science where its synthesis and structural characterization provide critical insights into the kinetics of phase formation in nickel-rich magnesium systems.

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

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