Ag2CaY

Ag2CaY is a semimetallic ternary intermetallic compound composed of silver, calcium, and yttrium that exhibits metastable thermodynamic behavior.

AgCaY
Crystal structure of Ag2CaY
Ground-state structure · Materials Project
Overview

About Ag2CaY

Ag2CaY is a complex ternary intermetallic compound composed of silver, calcium, and yttrium. Characterized as a near-zero-gap semimetallic material, it exhibits electronic properties that bridge the gap between metallic conductors and semiconductors.

Due to its position above the thermodynamic hull, this compound is considered metastable or unstable under standard conditions. Despite this, it remains a subject of interest in materials science, with multiple reported structures across various databases highlighting its complex structural landscape.

At a glance

Key Properties

Cross-validated computational properties for Ag2CaY, aggregated across 4 databases.

Band Gap

0.08 eV
Range across DFT structures

Energy Above Hull

1.923 eV/atom
Best (lowest) across sources

Stability

Above hull
3 DFT sources

Structures

7
4 databases, 2 space groups
Uses

Applications

Where Ag2CaY is used.

Fundamental materials researchSolid-state chemistry studiesElectronic structure modeling
Reference

Frequently Asked Questions

Common questions about Ag2CaY, answered from cross-validated data.

What is Ag2CaY?

Ag2CaY is a semimetallic ternary intermetallic compound composed of silver, calcium, and yttrium that exhibits metastable thermodynamic behavior.

More questions
What is Ag2CaY used for?
Ag2CaY is used in fundamental materials research, solid-state chemistry studies, and electronic structure modeling.
What is the band gap of Ag2CaY?
Ag2CaY has a DFT-computed band gap of 0.08 eV across 7 reported structures.
Is Ag2CaY a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Ag2CaY thermodynamically stable?
Ag2CaY has a lowest energy above hull of 1.923 eV/atom (above hull).
How many polymorphs of Ag2CaY are known?
7 structures of Ag2CaY are reported across 4 databases, spanning 2 distinct space groups.
What elements does Ag2CaY contain?
Ag2CaY contains Ag, Ca, and Y (3 elements).
Where does the data for Ag2CaY come from?
Ag2CaY data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, Ag2CaY represents a specialized area of intermetallic research where the interplay of silver, calcium, and yttrium creates distinct electronic characteristics. Unlike more stable, well-characterized binary alloys, this compound serves as a critical case study for understanding the formation and stability of complex ternary systems.

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

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