Ag1Ga2Li1

Ag1Ga2Li1 is a ternary intermetallic compound with semimetallic electronic properties that is currently being evaluated for its structural stability.

AgGaLi
Crystal structure of Ag1Ga2Li1 (orthorhombic, Immm (No. 71))
Ground-state structure · Materials Project
Overview

About Ag1Ga2Li1

Ag1Ga2Li1 is a ternary intermetallic compound composed of silver, gallium, and lithium. Its electronic character is defined as near-zero-gap, placing it in the category of semimetallic materials that exhibit unique conductive properties distinct from traditional insulators or metals.

Due to its position above the thermodynamic hull, this material is considered metastable, suggesting that its synthesis and long-term stability require specific experimental conditions. It remains a subject of interest in structural databases for those exploring complex ternary phase spaces.

At a glance

Key Properties

Cross-validated computational properties for Ag1Ga2Li1, aggregated across 2 databases.

Band Gap

0.01 eV
Range across DFT structures

Energy Above Hull

1.352 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 18 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Ag1Ga2Li1, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Immm (No. 71)orthorhombic0.011.3519-10.5500.50
Pmm2 (No. 25)
Imm2 (No. 44)
Pmmm (No. 47)
Cm (No. 8)
Cmm2 (No. 35)
I-4m2 (No. 119)
P2/m (No. 10)
Fm-3m (No. 225)
C2/m (No. 12)
P4/mmm (No. 123)
P4/mmm (No. 123)
Reference

Frequently Asked Questions

Common questions about Ag1Ga2Li1, answered from cross-validated data.

What is Ag1Ga2Li1?

Ag1Ga2Li1 is a ternary intermetallic compound with semimetallic electronic properties that is currently being evaluated for its structural stability.

More questions
What is the band gap of Ag1Ga2Li1?
Ag1Ga2Li1 has a DFT-computed band gap of 0.01 eV across 27 reported structures.
Is Ag1Ga2Li1 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Ag1Ga2Li1 thermodynamically stable?
Ag1Ga2Li1 has a lowest energy above hull of 1.352 eV/atom (above hull).
What is the crystal structure of Ag1Ga2Li1?
The lowest-energy reported polymorph of Ag1Ga2Li1 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Ag1Ga2Li1?
The computed density of the ground-state structure of Ag1Ga2Li1 is 0.50 g/cm³.
How many polymorphs of Ag1Ga2Li1 are known?
27 structures of Ag1Ga2Li1 are reported across 2 databases, spanning 18 distinct space groups.
What elements does Ag1Ga2Li1 contain?
Ag1Ga2Li1 contains Ag, Ga, and Li (3 elements).
Where does the data for Ag1Ga2Li1 come from?
Ag1Ga2Li1 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

As a member of the ternary silver-gallium-lithium system, Ag1Ga2Li1 serves as a distinct point of study within its specific chemical composition space, representing a unique structural arrangement that warrants further investigation into its formation pathways and electronic potential.

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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