Al1Cu1Y2

Al1Cu1Y2 is a semiconducting ternary intermetallic compound containing aluminum, copper, and yttrium.

AlCuY
Crystal structure of Al1Cu1Y2 (orthorhombic, Immm (No. 71))
Ground-state structure · Materials Project
Overview

About Al1Cu1Y2

Al1Cu1Y2 is a ternary intermetallic compound composed of aluminum, copper, and yttrium. It exhibits semiconducting electronic characteristics, distinguishing it from typical metallic alloys in this chemical space.

Due to its position above the thermodynamic hull, this material is considered metastable. It remains a subject of interest for researchers studying complex phase stability and the structural diversity of rare-earth-containing intermetallics.

At a glance

Key Properties

Cross-validated computational properties for Al1Cu1Y2, aggregated across 2 databases.

Band Gap

0.14 eV
Range across DFT structures

Energy Above Hull

2.734 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 16 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Al1Cu1Y2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Immm (No. 71)orthorhombic0.142.7343-12.1870.42
C2/m (No. 12)
I-4m2 (No. 119)
P4mm (No. 99)
F-43m (No. 216)
Imm2 (No. 44)
Amm2 (No. 38)
P4mm (No. 99)
P2/m (No. 10)
P4/mmm (No. 123)
P4mm (No. 99)
P4/mmm (No. 123)
Reference

Frequently Asked Questions

Common questions about Al1Cu1Y2, answered from cross-validated data.

What is Al1Cu1Y2?

Al1Cu1Y2 is a semiconducting ternary intermetallic compound containing aluminum, copper, and yttrium.

More questions
What is the band gap of Al1Cu1Y2?
Al1Cu1Y2 has a DFT-computed band gap of 0.14 eV across 27 reported structures.
Is Al1Cu1Y2 a metal, semiconductor, or insulator?
With a band gap up to 0.14 eV it is a semiconductor.
Is Al1Cu1Y2 thermodynamically stable?
Al1Cu1Y2 has a lowest energy above hull of 2.734 eV/atom (above hull).
What is the crystal structure of Al1Cu1Y2?
The lowest-energy reported polymorph of Al1Cu1Y2 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Al1Cu1Y2?
The computed density of the ground-state structure of Al1Cu1Y2 is 0.42 g/cm³.
How many polymorphs of Al1Cu1Y2 are known?
27 structures of Al1Cu1Y2 are reported across 2 databases, spanning 16 distinct space groups.
What elements does Al1Cu1Y2 contain?
Al1Cu1Y2 contains Al, Cu, and Y (3 elements).
Where does the data for Al1Cu1Y2 come from?
Al1Cu1Y2 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

As a unique ternary phase, Al1Cu1Y2 represents a specific structural configuration within the aluminum-copper-yttrium system. While it lacks direct siblings in this specific classification, it serves as a valuable case study for understanding how the inclusion of yttrium influences the electronic behavior of transition metal-aluminides.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).

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