Ga1In1Li2

Ga1In1Li2 is an unstable, semimetallic ternary alloy composed of gallium, indium, and lithium.

GaInLi
Crystal structure of Ga1In1Li2 (orthorhombic, Immm (No. 71))
Ground-state structure · Materials Project
Overview

About Ga1In1Li2

Ga1In1Li2 is a ternary intermetallic compound composed of gallium, indium, and lithium. Its electronic character is defined by a near-zero band gap, placing it in the category of semimetallic materials that exhibit complex electronic behavior due to the interplay of its constituent elements.

As a material that resides above the thermodynamic convex hull, Ga1In1Li2 is considered metastable or unstable under standard conditions. Despite this, it remains a subject of significant interest in computational materials science, with numerous structural configurations identified that provide insight into the phase space of lithium-rich alloys.

At a glance

Key Properties

Cross-validated computational properties for Ga1In1Li2, aggregated across 2 databases.

Band Gap

0.01 eV
Range across DFT structures

Energy Above Hull

1.424 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 Ga1In1Li2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Immm (No. 71)orthorhombic0.011.4237-8.6480.32
Pmmm (No. 47)
Cm (No. 8)
F-43m (No. 216)
Immm (No. 71)
C2/m (No. 12)
P4/mmm (No. 123)
Pm (No. 6)
P4/mmm (No. 123)
P4/mmm (No. 123)
C2/m (No. 12)
P4/mmm (No. 123)
Reference

Frequently Asked Questions

Common questions about Ga1In1Li2, answered from cross-validated data.

What is Ga1In1Li2?

Ga1In1Li2 is an unstable, semimetallic ternary alloy composed of gallium, indium, and lithium.

More questions
What is the band gap of Ga1In1Li2?
Ga1In1Li2 has a DFT-computed band gap of 0.01 eV across 27 reported structures.
Is Ga1In1Li2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Ga1In1Li2 thermodynamically stable?
Ga1In1Li2 has a lowest energy above hull of 1.424 eV/atom (above hull).
What is the crystal structure of Ga1In1Li2?
The lowest-energy reported polymorph of Ga1In1Li2 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Ga1In1Li2?
The computed density of the ground-state structure of Ga1In1Li2 is 0.32 g/cm³.
How many polymorphs of Ga1In1Li2 are known?
27 structures of Ga1In1Li2 are reported across 2 databases, spanning 18 distinct space groups.
What elements does Ga1In1Li2 contain?
Ga1In1Li2 contains Ga, In, and Li (3 elements).
Where does the data for Ga1In1Li2 come from?
Ga1In1Li2 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

As a unique ternary alloy, Ga1In1Li2 represents a specialized case within the broader family of lithium-based intermetallics, serving as a critical data point for understanding the structural diversity and energetic instability inherent in complex multinary metallic systems.

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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