Au1Cu2Ti1

Au1Cu2Ti1 is a semimetallic ternary intermetallic compound composed of gold, copper, and titanium that exhibits significant structural complexity.

AuCuTi
Crystal structure of Au1Cu2Ti1
Ground-state structure · Materials Project
Overview

About Au1Cu2Ti1

Au1Cu2Ti1 is a complex ternary intermetallic compound composed of gold, copper, and titanium. It exhibits a semimetallic electronic character, placing it in a unique position between metallic conductors and insulating materials.

Due to its position above the thermodynamic hull, this compound is considered metastable or unstable under standard conditions. Its structural complexity is highlighted by the significant number of reported configurations found in materials databases, suggesting a rich landscape of potential atomic arrangements.

At a glance

Key Properties

Cross-validated computational properties for Au1Cu2Ti1, aggregated across 2 databases.

Band Gap

0.02 eV
Range across DFT structures

Energy Above Hull

2.275 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

26
2 databases, 16 space groups
Reference

Frequently Asked Questions

Common questions about Au1Cu2Ti1, answered from cross-validated data.

What is Au1Cu2Ti1?

Au1Cu2Ti1 is a semimetallic ternary intermetallic compound composed of gold, copper, and titanium that exhibits significant structural complexity.

More questions
What is the band gap of Au1Cu2Ti1?
Au1Cu2Ti1 has a DFT-computed band gap of 0.02 eV across 26 reported structures.
Is Au1Cu2Ti1 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Au1Cu2Ti1 thermodynamically stable?
Au1Cu2Ti1 has a lowest energy above hull of 2.275 eV/atom (above hull).
How many polymorphs of Au1Cu2Ti1 are known?
26 structures of Au1Cu2Ti1 are reported across 2 databases, spanning 16 distinct space groups.
What elements does Au1Cu2Ti1 contain?
Au1Cu2Ti1 contains Au, Cu, and Ti (3 elements).
Where does the data for Au1Cu2Ti1 come from?
Au1Cu2Ti1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, Au1Cu2Ti1 represents a specialized study in the interplay of noble metals and transition elements, serving as a distinct example of complex intermetallic formation where thermodynamic stability is balanced against structural diversity.

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

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