CaY

CaY is a metallic intermetallic compound formed from calcium and yttrium that exhibits high structural complexity and metastable thermodynamic behavior.

CaY
Crystal structure of CaY
Ground-state structure · Materials Project
Overview

About CaY

CaY is a metallic intermetallic compound composed of calcium and yttrium. Its electronic character is defined by a lack of a band gap, placing it firmly within the category of metallic conductors rather than semiconductors or insulators. The material exhibits significant structural complexity, as evidenced by the large number of reported configurations across various databases. Due to its position above the thermodynamic hull, it is considered a metastable phase that requires specific synthesis conditions to stabilize. Its role as a metallic system makes it an interesting subject for studying alloy behavior and atomic packing in binary systems where the constituent elements possess distinct chemical properties. Researchers investigate such phases to understand the limits of solid-state stability and the potential for unique phase transformations in high-temperature or high-pressure environments.

At a glance

Key Properties

Cross-validated computational properties for CaY, aggregated across 4 databases.

Band Gap

Metallic / not reported

Energy Above Hull

0.142 eV/atom
Best (lowest) across sources

Stability

Above hull
3 DFT sources

Structures

33
4 databases, 10 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting CaY.

Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Uses

Applications

Where CaY is used.

Fundamental materials science researchAlloy phase stability studiesSolid-state chemistry investigations
Reference

Frequently Asked Questions

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

What is CaY?

CaY is a metallic intermetallic compound formed from calcium and yttrium that exhibits high structural complexity and metastable thermodynamic behavior.

More questions
What is CaY used for?
CaY is used in fundamental materials science research, alloy phase stability studies, and solid-state chemistry investigations.
What is the band gap of CaY?
CaY is computed to be metallic (no band gap) in the reported DFT structures.
Is CaY a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is CaY thermodynamically stable?
CaY has a lowest energy above hull of 0.142 eV/atom (above hull).
How many polymorphs of CaY are known?
33 structures of CaY are reported across 4 databases, spanning 10 distinct space groups.
How is CaY synthesized?
Literature-reported routes for CaY include sol gel, solid state (10 procedures documented).
What elements does CaY contain?
CaY contains Ca and Y (2 elements).
Where does the data for CaY come from?
CaY data is cross-referenced from latticegraph.
Comparison

How It Compares

As a binary intermetallic system, CaY represents a specialized case of metallic bonding where the interplay between the alkaline earth metal and the transition metal dictates its structural landscape. Unlike more stable, naturally occurring intermetallic phases, this compound serves as a critical data point for exploring metastable states within binary alloy systems.

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

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