AsAuLi2

AsAuLi2 is a semiconducting ternary compound consisting of arsenic, gold, and lithium that is currently studied for its unique structural and thermodynamic characteristics.

AsAuLi
Crystal structure of AsAuLi2
Ground-state structure · Materials Project
Overview

About AsAuLi2

AsAuLi2 is a ternary inorganic compound composed of arsenic, gold, and lithium. It exhibits semiconducting electronic behavior, positioning it as an interesting subject for fundamental research into the interplay between heavy metallic elements and light alkali metals within a crystalline lattice.

While the compound has been identified across multiple structural databases, it is characterized by a thermodynamic state that sits above the hull. This suggests that the material may be metastable or difficult to synthesize under standard conditions, making it a focus for studies on phase stability and synthesis pathways.

At a glance

Key Properties

Cross-validated computational properties for AsAuLi2, aggregated across 3 databases.

Band Gap

1.40 eV
Range across DFT structures

Energy Above Hull

1.109 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

3
3 databases, 2 space groups
Reference

Frequently Asked Questions

Common questions about AsAuLi2, answered from cross-validated data.

What is AsAuLi2?

AsAuLi2 is a semiconducting ternary compound consisting of arsenic, gold, and lithium that is currently studied for its unique structural and thermodynamic characteristics.

More questions
What is the band gap of AsAuLi2?
AsAuLi2 has a DFT-computed band gap of 1.40 eV across 3 reported structures.
Is AsAuLi2 a metal, semiconductor, or insulator?
With a band gap up to 1.40 eV it is a semiconductor.
Is AsAuLi2 thermodynamically stable?
AsAuLi2 has a lowest energy above hull of 1.109 eV/atom (above hull).
How many polymorphs of AsAuLi2 are known?
3 structures of AsAuLi2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does AsAuLi2 contain?
AsAuLi2 contains As, Au, and Li (3 elements).
Where does the data for AsAuLi2 come from?
AsAuLi2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, AsAuLi2 represents a specialized case within the broader landscape of complex metal-arsenic compounds. Without direct structural siblings, its role is defined by its distinct stoichiometry and the challenge of stabilizing a lattice that incorporates both highly electropositive lithium and heavy, noble gold alongside a pnictogen.

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

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