Mg4Si3

Mg4Si3 is a metallic magnesium-silicon compound studied for its potential role in advanced battery anode architectures.

Crystal structure of Mg4Si3
Ground-state structure · Materials Project
Overview

About Mg4Si3

Mg4Si3 is a metallic compound within the silicon anode materials class, characterized by its complex structural landscape. Its electronic nature suggests a conductive profile, making it a subject of interest for researchers investigating charge transport in battery electrode systems.

Despite its status as a metastable phase located above the thermodynamic hull, it remains a notable entry in structural databases. Its existence highlights the diverse bonding environments possible between magnesium and silicon, which are critical for understanding phase evolution in high-capacity energy storage materials.

At a glance

Key Properties

Cross-validated computational properties for Mg4Si3, aggregated across 4 databases.

Band Gap

Metallic / not reported

Energy Above Hull

0.114 eV/atom
Best (lowest) across sources

Stability

Above hull
3 DFT sources

Structures

88
4 databases, 11 space groups
Uses

Applications

Where Mg4Si3 is used.

Battery electrode researchEnergy storage material development
Reference

Frequently Asked Questions

Common questions about Mg4Si3, answered from cross-validated data.

What is Mg4Si3?

Mg4Si3 is a metallic magnesium-silicon compound studied for its potential role in advanced battery anode architectures.

More questions
What is Mg4Si3 used for?
Mg4Si3 is used in battery electrode research and energy storage material development.
What is the band gap of Mg4Si3?
Mg4Si3 is computed to be metallic (no band gap) in the reported DFT structures.
Is Mg4Si3 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Mg4Si3 thermodynamically stable?
Mg4Si3 has a lowest energy above hull of 0.114 eV/atom (above hull).
How many polymorphs of Mg4Si3 are known?
88 structures of Mg4Si3 are reported across 4 databases, spanning 11 distinct space groups.
What elements does Mg4Si3 contain?
Mg4Si3 contains Mg and Si (2 elements).
Where does the data for Mg4Si3 come from?
Mg4Si3 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the silicon anode materials class.

Within the family of silicon-based anode materials, Mg4Si3 occupies a unique position compared to more stable, well-characterized compounds like Mg2Si or pure Si. While Si is the industry standard for high-capacity anodes and Mg2Si is a well-documented binary phase, Mg4Si3 represents a more exotic, metastable stoichiometry that provides insight into the broader phase space of magnesium silicides.

Explore

Related Compounds

Other Silicon Anode Materials in the database.

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

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