InLiY2

InLiY2 is a metastable, semimetallic ternary compound containing indium, lithium, and yttrium.

InLiY
Crystal structure of InLiY2
Ground-state structure · Materials Project
Overview

About InLiY2

InLiY2 is a complex ternary compound composed of indium, lithium, and yttrium. Its electronic structure is characterized as near-zero-gap, placing it in the category of semimetallic materials that often exhibit unique transport properties.

Due to its position above the thermodynamic hull, this compound is considered metastable. While it has been identified across multiple structural databases, its relative instability suggests it may require specific synthesis conditions to stabilize its crystalline lattice.

At a glance

Key Properties

Cross-validated computational properties for InLiY2, aggregated across 3 databases.

Band Gap

0.04 eV
Range across DFT structures

Energy Above Hull

2.421 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

5
3 databases, 1 space group
Reference

Frequently Asked Questions

Common questions about InLiY2, answered from cross-validated data.

What is InLiY2?

InLiY2 is a metastable, semimetallic ternary compound containing indium, lithium, and yttrium.

More questions
What is the band gap of InLiY2?
InLiY2 has a DFT-computed band gap of 0.04 eV across 5 reported structures.
Is InLiY2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is InLiY2 thermodynamically stable?
InLiY2 has a lowest energy above hull of 2.421 eV/atom (above hull).
How many polymorphs of InLiY2 are known?
5 structures of InLiY2 are reported across 3 databases, spanning 1 distinct space group.
What elements does InLiY2 contain?
InLiY2 contains In, Li, and Y (3 elements).
Where does the data for InLiY2 come from?
InLiY2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As an unclassified ternary phase, InLiY2 represents a specialized area of study within intermetallic chemistry. Without established structural siblings, it serves as a unique case study in how the combination of heavy post-transition metals and light alkali elements influences the overall thermodynamic stability of the system.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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