Ag1Au2Li1

Ag1Au2Li1 is a semiconducting ternary intermetallic compound containing silver, gold, and lithium that exists as a metastable phase.

AgAuLi
Crystal structure of Ag1Au2Li1 (orthorhombic, Immm (No. 71))
Ground-state structure · Materials Project
Overview

About Ag1Au2Li1

Ag1Au2Li1 is a ternary intermetallic compound composed of silver, gold, and lithium. As a semiconducting material, it represents a unique intersection of noble metals and alkali chemistry, offering an intriguing electronic profile for fundamental condensed matter studies. The compound is characterized by its position above the thermodynamic hull, suggesting it is a metastable phase. Its existence across multiple reported structures highlights the complex landscape of silver-gold-lithium alloys and the interest in mapping its structural diversity.

At a glance

Key Properties

Cross-validated computational properties for Ag1Au2Li1, aggregated across 2 databases.

Band Gap

1.71 eV
Range across DFT structures

Energy Above Hull

1.147 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 17 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Ag1Au2Li1, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Immm (No. 71)orthorhombic1.711.1468-30.4170.92
C2/m (No. 12)
P4/mmm (No. 123)
Immm (No. 71)
P4/mmm (No. 123)
P4/mmm (No. 123)
Cm (No. 8)
Pmmm (No. 47)
Pmm2 (No. 25)
P4mm (No. 99)
P2/m (No. 10)
I-4m2 (No. 119)
Reference

Frequently Asked Questions

Common questions about Ag1Au2Li1, answered from cross-validated data.

What is Ag1Au2Li1?

Ag1Au2Li1 is a semiconducting ternary intermetallic compound containing silver, gold, and lithium that exists as a metastable phase.

More questions
What is the band gap of Ag1Au2Li1?
Ag1Au2Li1 has a DFT-computed band gap of 1.71 eV across 27 reported structures.
Is Ag1Au2Li1 a metal, semiconductor, or insulator?
With a band gap up to 1.71 eV it is a semiconductor.
Is Ag1Au2Li1 thermodynamically stable?
Ag1Au2Li1 has a lowest energy above hull of 1.147 eV/atom (above hull).
What is the crystal structure of Ag1Au2Li1?
The lowest-energy reported polymorph of Ag1Au2Li1 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Ag1Au2Li1?
The computed density of the ground-state structure of Ag1Au2Li1 is 0.92 g/cm³.
How many polymorphs of Ag1Au2Li1 are known?
27 structures of Ag1Au2Li1 are reported across 2 databases, spanning 17 distinct space groups.
What elements does Ag1Au2Li1 contain?
Ag1Au2Li1 contains Ag, Au, and Li (3 elements).
Where does the data for Ag1Au2Li1 come from?
Ag1Au2Li1 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

As a unique ternary phase, Ag1Au2Li1 serves as a distinct case study within the broader family of noble metal-lithium systems, where the interplay between metallic bonding and semiconducting behavior remains a subject of ongoing investigation.

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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