Li3Sb

Li3Sb is a stable, semiconducting binary compound formed from lithium and antimony that is frequently studied for its structural properties.

LiSb
Crystal structure of Li3Sb
Ground-state structure · Materials Project
Overview

About Li3Sb

Li3Sb is a binary inorganic compound composed of lithium and antimony. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of its constituent elements that is well-documented across multiple materials databases. Its semiconducting electronic character makes it a subject of interest for researchers investigating the fundamental behavior of lithium-based pnictides. The compound is characterized by significant structural diversity, with numerous reported configurations that highlight its complex potential in solid-state chemistry. It serves as a foundational material for understanding lithium-antimony interactions, providing a stable platform for exploring electronic properties in binary systems.

At a glance

Key Properties

Cross-validated computational properties for Li3Sb, aggregated across 4 databases.

Band Gap

0.48–0.71 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

19
4 databases, 5 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting Li3Sb.

Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where Li3Sb is used.

Solid-state battery researchSemiconductor materials developmentFundamental materials science studies
Reference

Frequently Asked Questions

Common questions about Li3Sb, answered from cross-validated data.

What is Li3Sb?

Li3Sb is a stable, semiconducting binary compound formed from lithium and antimony that is frequently studied for its structural properties.

More questions
What is Li3Sb used for?
Li3Sb is used in solid-state battery research, semiconductor materials development, and fundamental materials science studies.
What is the band gap of Li3Sb?
Li3Sb has a DFT-computed band gap of 0.48–0.71 eV across 19 reported structures.
Is Li3Sb a metal, semiconductor, or insulator?
With a band gap up to 0.71 eV it is a semiconductor.
Is Li3Sb thermodynamically stable?
Yes — Li3Sb sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Li3Sb are known?
19 structures of Li3Sb are reported across 4 databases, spanning 5 distinct space groups.
How is Li3Sb synthesized?
Literature-reported routes for Li3Sb include solid state (2 procedures documented).
What elements does Li3Sb contain?
Li3Sb contains Li and Sb (2 elements).
Where does the data for Li3Sb come from?
Li3Sb data is cross-referenced from latticegraph.
Comparison

How It Compares

As a thermodynamically stable semiconducting phase, Li3Sb serves as a primary reference point for binary lithium-antimony materials, defining the baseline for stability and electronic behavior within its specific chemical system.

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

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