Au2La1Zr1

Au2La1Zr1 is a semimetallic ternary intermetallic compound composed of gold, lanthanum, and zirconium that exhibits structural complexity.

AuLaZr
Crystal structure of Au2La1Zr1
Ground-state structure · Materials Project
Overview

About Au2La1Zr1

Au2La1Zr1 is a complex ternary intermetallic compound composed of gold, lanthanum, and zirconium. Its electronic character is defined as a near-zero-gap semimetal, suggesting unique charge carrier dynamics that distinguish it from standard metallic alloys. The material is characterized as being above the thermodynamic hull, indicating it is likely metastable under ambient conditions. Despite this, it remains a subject of interest in structural databases due to the high number of reported configurations observed for this specific elemental combination.

At a glance

Key Properties

Cross-validated computational properties for Au2La1Zr1, aggregated across 2 databases.

Band Gap

0.07 eV
Range across DFT structures

Energy Above Hull

2.558 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 15 space groups
Reference

Frequently Asked Questions

Common questions about Au2La1Zr1, answered from cross-validated data.

What is Au2La1Zr1?

Au2La1Zr1 is a semimetallic ternary intermetallic compound composed of gold, lanthanum, and zirconium that exhibits structural complexity.

More questions
What is the band gap of Au2La1Zr1?
Au2La1Zr1 has a DFT-computed band gap of 0.07 eV across 27 reported structures.
Is Au2La1Zr1 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Au2La1Zr1 thermodynamically stable?
Au2La1Zr1 has a lowest energy above hull of 2.558 eV/atom (above hull).
How many polymorphs of Au2La1Zr1 are known?
27 structures of Au2La1Zr1 are reported across 2 databases, spanning 15 distinct space groups.
What elements does Au2La1Zr1 contain?
Au2La1Zr1 contains Au, La, and Zr (3 elements).
Where does the data for Au2La1Zr1 come from?
Au2La1Zr1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary intermetallic, Au2La1Zr1 represents a specialized case within the broader landscape of gold-based intermetallic systems. While many gold-lanthanide-transition metal compounds are investigated for their magnetic or superconducting properties, this specific stoichiometry stands out for its semimetallic nature and structural diversity, serving as a distinct data point in the study of metastable intermetallic phases.

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

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