Au2Cu1Sc1

Au2Cu1Sc1 is a semimetallic ternary intermetallic compound containing gold, copper, and scandium that is primarily studied for its structural complexity.

AuCuSc
Crystal structure of Au2Cu1Sc1
Ground-state structure · Materials Project
Overview

About Au2Cu1Sc1

Au2Cu1Sc1 is a complex ternary intermetallic compound composed of gold, copper, and scandium. Its electronic structure exhibits semimetallic behavior, characterized by a near-zero band gap that influences its charge transport properties.

This material is primarily of interest in fundamental condensed matter research due to its structural diversity. As a compound that sits above the thermodynamic hull, it represents a metastable phase that provides insights into the synthesis and stability of multi-element metallic systems.

At a glance

Key Properties

Cross-validated computational properties for Au2Cu1Sc1, aggregated across 2 databases.

Band Gap

0.03 eV
Range across DFT structures

Energy Above Hull

1.985 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

26
2 databases, 15 space groups
Uses

Applications

Where Au2Cu1Sc1 is used.

Fundamental materials science researchIntermetallic phase stability studies
Reference

Frequently Asked Questions

Common questions about Au2Cu1Sc1, answered from cross-validated data.

What is Au2Cu1Sc1?

Au2Cu1Sc1 is a semimetallic ternary intermetallic compound containing gold, copper, and scandium that is primarily studied for its structural complexity.

More questions
What is Au2Cu1Sc1 used for?
Au2Cu1Sc1 is used in fundamental materials science research and intermetallic phase stability studies.
What is the band gap of Au2Cu1Sc1?
Au2Cu1Sc1 has a DFT-computed band gap of 0.03 eV across 26 reported structures.
Is Au2Cu1Sc1 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Au2Cu1Sc1 thermodynamically stable?
Au2Cu1Sc1 has a lowest energy above hull of 1.985 eV/atom (above hull).
How many polymorphs of Au2Cu1Sc1 are known?
26 structures of Au2Cu1Sc1 are reported across 2 databases, spanning 15 distinct space groups.
What elements does Au2Cu1Sc1 contain?
Au2Cu1Sc1 contains Au, Cu, and Sc (3 elements).
Where does the data for Au2Cu1Sc1 come from?
Au2Cu1Sc1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a specialized ternary phase, Au2Cu1Sc1 serves as a distinct example of how gold, copper, and scandium can arrange into diverse structural configurations. Unlike more common, highly stable binary alloys, this compound highlights the challenges and opportunities in stabilizing complex intermetallic systems that exist outside of standard equilibrium conditions.

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

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