As2Si2

As2Si2 is a stable, semiconducting arsenic-silicon compound investigated for its potential as an advanced anode material in battery systems.

Crystal structure of As2Si2
Ground-state structure · Materials Project
Overview

About As2Si2

As2Si2 is a semiconducting compound within the silicon anode materials class. Its position on the convex hull indicates high thermodynamic stability, making it a compelling candidate for structural studies in energy storage research.

With numerous reported structures across major databases, this material is well-documented for its potential in next-generation battery architectures. Its unique electronic character allows researchers to explore how arsenic-silicon frameworks contribute to efficient ion transport and capacity retention.

At a glance

Key Properties

Cross-validated computational properties for As2Si2, aggregated across 4 databases.

Band Gap

1.45 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

34
4 databases, 15 space groups
Uses

Applications

Where As2Si2 is used.

Lithium-ion battery anodesSemiconductor researchEnergy storage material development
Reference

Frequently Asked Questions

Common questions about As2Si2, answered from cross-validated data.

What is As2Si2?

As2Si2 is a stable, semiconducting arsenic-silicon compound investigated for its potential as an advanced anode material in battery systems.

More questions
What is As2Si2 used for?
As2Si2 is used in lithium-ion battery anodes, semiconductor research, and energy storage material development.
What is the band gap of As2Si2?
As2Si2 has a DFT-computed band gap of 1.45 eV across 34 reported structures.
Is As2Si2 a metal, semiconductor, or insulator?
With a band gap up to 1.45 eV it is a semiconductor.
Is As2Si2 thermodynamically stable?
Yes — As2Si2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of As2Si2 are known?
34 structures of As2Si2 are reported across 4 databases, spanning 15 distinct space groups.
What elements does As2Si2 contain?
As2Si2 contains As and Si (2 elements).
Where does the data for As2Si2 come from?
As2Si2 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the silicon anode materials class.

As2Si2 occupies a distinct niche in the silicon anode material family, differing from traditional silicides like Mg2Si or MoSi2 by incorporating arsenic to tune its semiconducting properties. While simpler structures like elemental Si or C2Si2 are widely utilized as benchmarks, As2Si2 offers a more complex structural landscape that provides researchers with greater flexibility in optimizing electrochemical performance.

Explore

Related Compounds

Other Silicon Anode Materials in the database.

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

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