Cu2Sc1Y1

Cu2Sc1Y1 is a semimetallic ternary intermetallic compound containing copper, scandium, and yttrium.

CuScY
Crystal structure of Cu2Sc1Y1
Ground-state structure · Materials Project
Overview

About Cu2Sc1Y1

Cu2Sc1Y1 is a ternary intermetallic compound composed of copper, scandium, and yttrium. It exhibits a near-zero-gap electronic character, placing it in the category of semimetallic materials that bridge the gap between conductive metals and semiconductors.

Due to its position above the thermodynamic hull, this compound is considered metastable. Its structural complexity is highlighted by a significant number of reported configurations, reflecting the diverse ways these elements can arrange themselves in the solid state.

At a glance

Key Properties

Cross-validated computational properties for Cu2Sc1Y1, aggregated across 2 databases.

Band Gap

0.04 eV
Range across DFT structures

Energy Above Hull

2.546 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

29
2 databases, 13 space groups
Reference

Frequently Asked Questions

Common questions about Cu2Sc1Y1, answered from cross-validated data.

What is Cu2Sc1Y1?

Cu2Sc1Y1 is a semimetallic ternary intermetallic compound containing copper, scandium, and yttrium.

More questions
What is the band gap of Cu2Sc1Y1?
Cu2Sc1Y1 has a DFT-computed band gap of 0.04 eV across 29 reported structures.
Is Cu2Sc1Y1 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Cu2Sc1Y1 thermodynamically stable?
Cu2Sc1Y1 has a lowest energy above hull of 2.546 eV/atom (above hull).
How many polymorphs of Cu2Sc1Y1 are known?
29 structures of Cu2Sc1Y1 are reported across 2 databases, spanning 13 distinct space groups.
What elements does Cu2Sc1Y1 contain?
Cu2Sc1Y1 contains Cu, Sc, and Y (3 elements).
Where does the data for Cu2Sc1Y1 come from?
Cu2Sc1Y1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary intermetallic, Cu2Sc1Y1 serves as a distinct case study in how the combination of transition metals and rare-earth elements influences electronic behavior and structural stability in the absence of a defined structural family.

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

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