Ag1Y1Zn2

Ag1Y1Zn2 is a semiconducting intermetallic compound containing silver, yttrium, and zinc that is currently studied for its structural diversity.

AgYZn
Crystal structure of Ag1Y1Zn2 (orthorhombic, Immm (No. 71))
Ground-state structure · Materials Project
Overview

About Ag1Y1Zn2

Ag1Y1Zn2 is a complex intermetallic compound composed of silver, yttrium, and zinc. As a semiconducting material, it exhibits electronic properties that distinguish it from purely metallic alloys, making it a subject of interest for fundamental solid-state studies.

While the compound has been identified across multiple structural configurations in databases, it is characterized as being thermodynamically unstable relative to the ground state. This suggests that its synthesis and long-term retention require specific experimental conditions to overcome its position above the stability hull.

At a glance

Key Properties

Cross-validated computational properties for Ag1Y1Zn2, aggregated across 2 databases.

Band Gap

0.37 eV
Range across DFT structures

Energy Above Hull

1.885 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 15 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Ag1Y1Zn2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Immm (No. 71)orthorhombic0.371.8854-13.3550.49
P2/m (No. 10)
P4mm (No. 99)
P4/mmm (No. 123)
I4/mmm (No. 139)
Fm-3m (No. 225)
P4/mmm (No. 123)
R-3m (No. 166)
Pmm2 (No. 25)
Imm2 (No. 44)
Pmmm (No. 47)
Pm (No. 6)
Reference

Frequently Asked Questions

Common questions about Ag1Y1Zn2, answered from cross-validated data.

What is Ag1Y1Zn2?

Ag1Y1Zn2 is a semiconducting intermetallic compound containing silver, yttrium, and zinc that is currently studied for its structural diversity.

More questions
What is the band gap of Ag1Y1Zn2?
Ag1Y1Zn2 has a DFT-computed band gap of 0.37 eV across 27 reported structures.
Is Ag1Y1Zn2 a metal, semiconductor, or insulator?
With a band gap up to 0.37 eV it is a semiconductor.
Is Ag1Y1Zn2 thermodynamically stable?
Ag1Y1Zn2 has a lowest energy above hull of 1.885 eV/atom (above hull).
What is the crystal structure of Ag1Y1Zn2?
The lowest-energy reported polymorph of Ag1Y1Zn2 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Ag1Y1Zn2?
The computed density of the ground-state structure of Ag1Y1Zn2 is 0.49 g/cm³.
How many polymorphs of Ag1Y1Zn2 are known?
27 structures of Ag1Y1Zn2 are reported across 2 databases, spanning 15 distinct space groups.
What elements does Ag1Y1Zn2 contain?
Ag1Y1Zn2 contains Ag, Y, and Zn (3 elements).
Where does the data for Ag1Y1Zn2 come from?
Ag1Y1Zn2 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

As an unclassified intermetallic, Ag1Y1Zn2 occupies a niche space in materials research where its semiconducting nature sets it apart from more common metallic phases. Without direct siblings in this specific ternary system, it serves as a unique case study for how the combination of noble metals, rare earths, and transition metals can influence electronic behavior despite thermodynamic challenges.

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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