Al1La1Li2

Al1La1Li2 is a semimetallic, thermodynamically metastable ternary compound composed of aluminum, lanthanum, and lithium.

AlLaLi
Crystal structure of Al1La1Li2
Ground-state structure · Materials Project
Overview

About Al1La1Li2

Al1La1Li2 is a complex ternary intermetallic compound composed of aluminum, lanthanum, and lithium. Its electronic character is defined as near-zero-gap, placing it in the semimetallic regime where conduction properties are highly sensitive to structural configuration.

Despite the existence of numerous reported structural variations for this composition, the material is considered thermodynamically unstable relative to its constituent elements. This instability suggests that while it can be synthesized under specific conditions, it remains a challenging subject for long-term material integration.

At a glance

Key Properties

Cross-validated computational properties for Al1La1Li2, aggregated across 2 databases.

Band Gap

0.09 eV
Range across DFT structures

Energy Above Hull

2.122 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 13 space groups
Reference

Frequently Asked Questions

Common questions about Al1La1Li2, answered from cross-validated data.

What is Al1La1Li2?

Al1La1Li2 is a semimetallic, thermodynamically metastable ternary compound composed of aluminum, lanthanum, and lithium.

More questions
What is the band gap of Al1La1Li2?
Al1La1Li2 has a DFT-computed band gap of 0.09 eV across 27 reported structures.
Is Al1La1Li2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Al1La1Li2 thermodynamically stable?
Al1La1Li2 has a lowest energy above hull of 2.122 eV/atom (above hull).
How many polymorphs of Al1La1Li2 are known?
27 structures of Al1La1Li2 are reported across 2 databases, spanning 13 distinct space groups.
What elements does Al1La1Li2 contain?
Al1La1Li2 contains Al, La, and Li (3 elements).
Where does the data for Al1La1Li2 come from?
Al1La1Li2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase within the aluminum-lanthanum-lithium system, this compound represents a specialized structural arrangement that does not have direct, well-characterized siblings in this specific chemical space, marking it as a distinct, albeit metastable, entry in the broader catalog of complex intermetallics.

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

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