Li1Sc1Zn2

Li1Sc1Zn2 is a semiconducting ternary compound characterized by high structural diversity and metastable thermodynamic properties.

LiScZn
Crystal structure of Li1Sc1Zn2
Ground-state structure · Materials Project
Overview

About Li1Sc1Zn2

Li1Sc1Zn2 is a complex ternary compound composed of lithium, scandium, and zinc. As a semiconducting material, it represents a specialized niche in inorganic chemistry, characterized by a diverse array of potential structural arrangements despite its tendency to exist in a metastable state above the thermodynamic hull. The material is of significant interest to researchers investigating the interplay between light alkali metals and transition metals in solid-state systems. Its structural diversity, evidenced by numerous reported configurations, makes it a subject of ongoing study for those mapping the phase space of complex metallic alloys and semiconductors.

At a glance

Key Properties

Cross-validated computational properties for Li1Sc1Zn2, aggregated across 2 databases.

Band Gap

0.13 eV
Range across DFT structures

Energy Above Hull

1.792 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 13 space groups
Uses

Applications

Where Li1Sc1Zn2 is used.

Solid-state researchFundamental materials science studies
Reference

Frequently Asked Questions

Common questions about Li1Sc1Zn2, answered from cross-validated data.

What is Li1Sc1Zn2?

Li1Sc1Zn2 is a semiconducting ternary compound characterized by high structural diversity and metastable thermodynamic properties.

More questions
What is Li1Sc1Zn2 used for?
Li1Sc1Zn2 is used in solid-state research and fundamental materials science studies.
What is the band gap of Li1Sc1Zn2?
Li1Sc1Zn2 has a DFT-computed band gap of 0.13 eV across 27 reported structures.
Is Li1Sc1Zn2 a metal, semiconductor, or insulator?
With a band gap up to 0.13 eV it is a semiconductor.
Is Li1Sc1Zn2 thermodynamically stable?
Li1Sc1Zn2 has a lowest energy above hull of 1.792 eV/atom (above hull).
How many polymorphs of Li1Sc1Zn2 are known?
27 structures of Li1Sc1Zn2 are reported across 2 databases, spanning 13 distinct space groups.
What elements does Li1Sc1Zn2 contain?
Li1Sc1Zn2 contains Li, Sc, and Zn (3 elements).
Where does the data for Li1Sc1Zn2 come from?
Li1Sc1Zn2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, Li1Sc1Zn2 serves as a distinct point of study within the broader class of lithium-scandium-zinc intermetallics, where its semiconducting nature and structural variability provide a contrast to more common, highly stable metallic alloys found in this chemical space.

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

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