AlLiSi

AlLiSi is a thermodynamically stable, semiconducting ternary compound composed of aluminum, lithium, and silicon.

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

About AlLiSi

AlLiSi is a ternary compound composed of aluminum, lithium, and silicon. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of these three elements that maintains structural integrity under standard conditions. Its electronic character is defined as semiconducting, making it an intriguing subject for research into materials with tunable electrical properties. This combination of elements allows for unique bonding environments that are distinct from binary silicides or aluminides. Its stability and semiconducting nature suggest potential utility in specialized electronic or optoelectronic device architectures where specific band structures are required. As a material that occupies a stable position in its phase space, it serves as a foundational component for exploring complex ternary systems.

At a glance

Key Properties

Cross-validated computational properties for AlLiSi, aggregated across 3 databases.

Band Gap

0.11 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

4
3 databases, 2 space groups
Validation

Cross-Source DFT Agreement

How well independent DFT databases agree on the thermodynamics of AlLiSi. Tight agreement means computed properties can be trusted without re-running calculations.

Agreement Score

1.00 / 1.00
Trust tier: medium

Hull Spread

0.000 eV
EAH spread across sources

Sources Compared

1
materials_project

Space Group Consensus

All match
Uses

Applications

Where AlLiSi is used.

Semiconductor researchSolid-state electronics developmentMaterials science fundamental studies
Reference

Frequently Asked Questions

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

What is AlLiSi?

AlLiSi is a thermodynamically stable, semiconducting ternary compound composed of aluminum, lithium, and silicon.

More questions
What is AlLiSi used for?
AlLiSi is used in semiconductor research, solid-state electronics development, and materials science fundamental studies.
What is the band gap of AlLiSi?
AlLiSi has a DFT-computed band gap of 0.11 eV across 4 reported structures.
Is AlLiSi a metal, semiconductor, or insulator?
With a band gap up to 0.11 eV it is a semiconductor.
Is AlLiSi thermodynamically stable?
Yes — AlLiSi sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of AlLiSi are known?
4 structures of AlLiSi are reported across 3 databases, spanning 2 distinct space groups.
What elements does AlLiSi contain?
AlLiSi contains Al, Li, and Si (3 elements).
Where does the data for AlLiSi come from?
AlLiSi data is cross-referenced from latticegraph.
Comparison

How It Compares

As a stable ternary phase, AlLiSi occupies a unique position in materials science, representing a distinct structural arrangement compared to simpler binary systems. While many ternary compounds are metastable or difficult to synthesize, its position on the convex hull indicates a high degree of thermodynamic favorability, making it a reliable candidate for experimental study and potential integration into electronic technologies.

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

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