Al1Co2Zn1

Al1Co2Zn1 is a semimetallic ternary intermetallic compound that exhibits structural metastability.

AlCoZn
Crystal structure of Al1Co2Zn1
Ground-state structure · Materials Project
Overview

About Al1Co2Zn1

Al1Co2Zn1 is a complex ternary intermetallic compound characterized by its semimetallic electronic nature. Its atomic arrangement suggests a dense structural complexity, which is typical for systems containing transition metals like cobalt alongside aluminum and zinc.

Due to its position above the thermodynamic hull, this material is considered metastable, making it a subject of interest for fundamental studies in phase stability and structural chemistry. Its existence across multiple reported structural configurations highlights the intricate bonding landscape inherent to this specific elemental combination.

At a glance

Key Properties

Cross-validated computational properties for Al1Co2Zn1, aggregated across 2 databases.

Band Gap

0.05 eV
Range across DFT structures

Energy Above Hull

2.531 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 16 space groups
Uses

Applications

Where Al1Co2Zn1 is used.

Fundamental materials science researchPhase stability studiesAlloy design exploration
Reference

Frequently Asked Questions

Common questions about Al1Co2Zn1, answered from cross-validated data.

What is Al1Co2Zn1?

Al1Co2Zn1 is a semimetallic ternary intermetallic compound that exhibits structural metastability.

More questions
What is Al1Co2Zn1 used for?
Al1Co2Zn1 is used in fundamental materials science research, phase stability studies, and alloy design exploration.
What is the band gap of Al1Co2Zn1?
Al1Co2Zn1 has a DFT-computed band gap of 0.05 eV across 27 reported structures.
Is Al1Co2Zn1 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Al1Co2Zn1 thermodynamically stable?
Al1Co2Zn1 has a lowest energy above hull of 2.531 eV/atom (above hull).
How many polymorphs of Al1Co2Zn1 are known?
27 structures of Al1Co2Zn1 are reported across 2 databases, spanning 16 distinct space groups.
What elements does Al1Co2Zn1 contain?
Al1Co2Zn1 contains Al, Co, and Zn (3 elements).
Where does the data for Al1Co2Zn1 come from?
Al1Co2Zn1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, Al1Co2Zn1 represents a niche structural configuration within the broader landscape of aluminum-cobalt-zinc intermetallics. Without direct structural siblings, it serves as a distinct example of how transition metal-rich phases can manifest in metastable states, providing valuable data for researchers mapping the stability limits of complex metallic alloys.

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

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