Ag1Y2Zn1

Ag1Y2Zn1 is a semimetallic ternary intermetallic compound that is theoretically stable enough to be synthesized in a laboratory setting.

AgYZn
Crystal structure of Ag1Y2Zn1 (cubic, Fm-3m (No. 225))
Ground-state structure · Materials Project
Overview

About Ag1Y2Zn1

Ag1Y2Zn1 is an intermetallic compound characterized by its semimetallic electronic structure. Its composition, featuring silver, yttrium, and zinc, places it in a niche category of materials where electronic properties are highly sensitive to atomic arrangement.

The material is considered to be near the thermodynamic hull, indicating it is likely synthesizable under controlled experimental conditions. Its structural behavior is of interest to researchers exploring complex ternary phases and their potential for specialized electronic applications.

At a glance

Key Properties

Cross-validated computational properties for Ag1Y2Zn1, aggregated across 2 databases.

Band Gap

0.08 eV
Range across DFT structures

Energy Above Hull

0.012 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
1 DFT source

Structures

27
2 databases, 15 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Ag1Y2Zn1, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Fm-3m (No. 225)cubic0.000.0124-18.0686.23
Immm (No. 71)orthorhombic0.082.4419-15.6390.46
Cmmm (No. 65)
R-3m (No. 166)
I-4m2 (No. 119)
Fm-3m (No. 225)
I4/mmm (No. 139)
P4mm (No. 99)
P4/mmm (No. 123)
P4/mmm (No. 123)
Cm (No. 8)
F-43m (No. 216)
Uses

Applications

Where Ag1Y2Zn1 is used.

Materials science researchSolid-state physics studiesIntermetallic phase exploration
Reference

Frequently Asked Questions

Common questions about Ag1Y2Zn1, answered from cross-validated data.

What is Ag1Y2Zn1?

Ag1Y2Zn1 is a semimetallic ternary intermetallic compound that is theoretically stable enough to be synthesized in a laboratory setting.

More questions
What is Ag1Y2Zn1 used for?
Ag1Y2Zn1 is used in materials science research, solid-state physics studies, and intermetallic phase exploration.
What is the band gap of Ag1Y2Zn1?
Ag1Y2Zn1 has a DFT-computed band gap of 0.08 eV across 27 reported structures.
Is Ag1Y2Zn1 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Ag1Y2Zn1 thermodynamically stable?
Ag1Y2Zn1 has a lowest energy above hull of 0.012 eV/atom (near hull (likely stable)).
What is the crystal structure of Ag1Y2Zn1?
The lowest-energy reported polymorph of Ag1Y2Zn1 is cubic symmetry, space group Fm-3m (No. 225).
What is the density of Ag1Y2Zn1?
The computed density of the ground-state structure of Ag1Y2Zn1 is 6.23 g/cm³.
How many polymorphs of Ag1Y2Zn1 are known?
27 structures of Ag1Y2Zn1 are reported across 2 databases, spanning 15 distinct space groups.
What elements does Ag1Y2Zn1 contain?
Ag1Y2Zn1 contains Ag, Y, and Zn (3 elements).
Where does the data for Ag1Y2Zn1 come from?
Ag1Y2Zn1 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

As a unique ternary phase, Ag1Y2Zn1 serves as a foundational example of how silver, yttrium, and zinc can combine to form stable, near-zero-gap electronic systems, providing a critical reference point for future studies of similar intermetallic compounds.

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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