Cu1Ga1Zr2

Cu1Ga1Zr2 is a semimetallic ternary intermetallic compound characterized by a high degree of structural polymorphism.

CuGaZr
Crystal structure of Cu1Ga1Zr2
Ground-state structure · Materials Project
Overview

About Cu1Ga1Zr2

Cu1Ga1Zr2 is a complex intermetallic compound composed of copper, gallium, and zirconium. It exhibits semimetallic electronic character, placing it in a regime where its conductivity properties are highly sensitive to its specific atomic arrangement.

Due to its position above the thermodynamic hull, this material is considered metastable. Its significant structural diversity, evidenced by numerous reported configurations, makes it a subject of interest for researchers investigating phase stability in ternary metal systems.

At a glance

Key Properties

Cross-validated computational properties for Cu1Ga1Zr2, aggregated across 2 databases.

Band Gap

0.02 eV
Range across DFT structures

Energy Above Hull

3.345 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

26
2 databases, 16 space groups
Uses

Applications

Where Cu1Ga1Zr2 is used.

Materials science researchPhase stability studiesFundamental condensed matter physics
Reference

Frequently Asked Questions

Common questions about Cu1Ga1Zr2, answered from cross-validated data.

What is Cu1Ga1Zr2?

Cu1Ga1Zr2 is a semimetallic ternary intermetallic compound characterized by a high degree of structural polymorphism.

More questions
What is Cu1Ga1Zr2 used for?
Cu1Ga1Zr2 is used in materials science research, phase stability studies, and fundamental condensed matter physics.
What is the band gap of Cu1Ga1Zr2?
Cu1Ga1Zr2 has a DFT-computed band gap of 0.02 eV across 26 reported structures.
Is Cu1Ga1Zr2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Cu1Ga1Zr2 thermodynamically stable?
Cu1Ga1Zr2 has a lowest energy above hull of 3.345 eV/atom (above hull).
How many polymorphs of Cu1Ga1Zr2 are known?
26 structures of Cu1Ga1Zr2 are reported across 2 databases, spanning 16 distinct space groups.
What elements does Cu1Ga1Zr2 contain?
Cu1Ga1Zr2 contains Cu, Ga, and Zr (3 elements).
Where does the data for Cu1Ga1Zr2 come from?
Cu1Ga1Zr2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary intermetallic, Cu1Ga1Zr2 serves as a representative case study for the structural complexity found in transition metal-based alloys. Without direct siblings in this specific grouping, it stands as a standalone example of how copper, gallium, and zirconium can organize into diverse, albeit metastable, crystalline frameworks.

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

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