Ga1Li2Y1

Ga1Li2Y1 is a metastable, semimetallic ternary compound composed of gallium, lithium, and yttrium that is primarily studied for its complex structural properties.

GaLiY
Crystal structure of Ga1Li2Y1 (orthorhombic, Immm (No. 71))
Ground-state structure · Materials Project
Overview

About Ga1Li2Y1

Ga1Li2Y1 is a complex ternary compound composed of gallium, lithium, and yttrium. As a semimetallic material with a near-zero electronic gap, it exhibits unique conductive properties that distinguish it from standard insulating or semiconducting alloys. Its electronic character suggests potential for specialized applications in condensed matter physics where precise control over charge carrier density is required. The material is characterized by a high degree of structural diversity, as evidenced by numerous reported configurations in computational databases. Because it sits above the thermodynamic hull, it is considered a metastable phase, which often indicates that its synthesis requires specific kinetic control or high-pressure conditions to stabilize its lattice.

At a glance

Key Properties

Cross-validated computational properties for Ga1Li2Y1, aggregated across 2 databases.

Band Gap

0.05 eV
Range across DFT structures

Energy Above Hull

2.087 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

26
2 databases, 13 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Ga1Li2Y1, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Immm (No. 71)orthorhombic0.052.0871-1.5750.24
P4mm (No. 99)
P4mm (No. 99)
Pmmm (No. 47)
P4/mmm (No. 123)
F-43m (No. 216)
I-4m2 (No. 119)
P4/mmm (No. 123)
Fm-3m (No. 225)
Pmmm (No. 47)
P4mm (No. 99)
Cm (No. 8)
Uses

Applications

Where Ga1Li2Y1 is used.

Condensed matter physics researchMaterials science structural modelingExploratory alloy development
Reference

Frequently Asked Questions

Common questions about Ga1Li2Y1, answered from cross-validated data.

What is Ga1Li2Y1?

Ga1Li2Y1 is a metastable, semimetallic ternary compound composed of gallium, lithium, and yttrium that is primarily studied for its complex structural properties.

More questions
What is Ga1Li2Y1 used for?
Ga1Li2Y1 is used in condensed matter physics research, materials science structural modeling, and exploratory alloy development.
What is the band gap of Ga1Li2Y1?
Ga1Li2Y1 has a DFT-computed band gap of 0.05 eV across 26 reported structures.
Is Ga1Li2Y1 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Ga1Li2Y1 thermodynamically stable?
Ga1Li2Y1 has a lowest energy above hull of 2.087 eV/atom (above hull).
What is the crystal structure of Ga1Li2Y1?
The lowest-energy reported polymorph of Ga1Li2Y1 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Ga1Li2Y1?
The computed density of the ground-state structure of Ga1Li2Y1 is 0.24 g/cm³.
How many polymorphs of Ga1Li2Y1 are known?
26 structures of Ga1Li2Y1 are reported across 2 databases, spanning 13 distinct space groups.
What elements does Ga1Li2Y1 contain?
Ga1Li2Y1 contains Ga, Li, and Y (3 elements).
Where does the data for Ga1Li2Y1 come from?
Ga1Li2Y1 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

As a unique ternary phase, Ga1Li2Y1 represents an interesting case study in the exploration of lithium-based intermetallic systems, serving as a precursor for understanding how yttrium and gallium interact within a highly coordinated structural framework.

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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