Mg2Si3

Mg2Si3 is a metallic magnesium-silicon compound characterized by its structural complexity and potential relevance to the development of next-generation battery anode materials.

Crystal structure of Mg2Si3
Ground-state structure · Materials Project
Overview

About Mg2Si3

Mg2Si3 is a metallic silicon-based compound that exists within a complex landscape of magnesium-silicon phases. Its electronic character and structural diversity make it a subject of interest for researchers investigating new pathways for high-capacity energy storage materials.

Despite its status as a metastable phase, the compound is supported by a significant number of reported structures across multiple databases. This data richness highlights its role as a potential intermediate or transient phase during the lithiation or magnesiation processes in advanced battery anodes.

At a glance

Key Properties

Cross-validated computational properties for Mg2Si3, aggregated across 4 databases.

Band Gap

Metallic / not reported

Energy Above Hull

0.156 eV/atom
Best (lowest) across sources

Stability

Above hull
3 DFT sources

Structures

71
4 databases, 8 space groups
Uses

Applications

Where Mg2Si3 is used.

Battery anode researchMaterials science explorationSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about Mg2Si3, answered from cross-validated data.

What is Mg2Si3?

Mg2Si3 is a metallic magnesium-silicon compound characterized by its structural complexity and potential relevance to the development of next-generation battery anode materials.

More questions
What is Mg2Si3 used for?
Mg2Si3 is used in battery anode research, materials science exploration, and solid-state chemistry studies.
What is the band gap of Mg2Si3?
Mg2Si3 is computed to be metallic (no band gap) in the reported DFT structures.
Is Mg2Si3 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Mg2Si3 thermodynamically stable?
Mg2Si3 has a lowest energy above hull of 0.156 eV/atom (above hull).
How many polymorphs of Mg2Si3 are known?
71 structures of Mg2Si3 are reported across 4 databases, spanning 8 distinct space groups.
What elements does Mg2Si3 contain?
Mg2Si3 contains Mg and Si (2 elements).
Where does the data for Mg2Si3 come from?
Mg2Si3 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the silicon anode materials class.

Within the broader family of silicon anode materials, Mg2Si3 occupies a distinct position compared to more thermodynamically stable counterparts like Mg2Si or pure Si. While materials like FeSi or MoSi2 are often studied for their structural robustness, Mg2Si3 represents a more elusive, metastable configuration that challenges current understanding of phase stability in magnesium-silicon systems.

Explore

Related Compounds

Other Silicon Anode Materials in the database.

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

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