LiB

LiB is a stable, semiconducting compound formed from lithium and boron that is noted for its extensive structural diversity.

BLi
Crystal structure of LiB
Ground-state structure · Materials Project
Overview

About LiB

LiB is a binary compound composed of lithium and boron that exhibits semiconducting electronic properties. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of these two light elements, making it a subject of significant interest for fundamental materials research. The material is characterized by a high degree of structural complexity, with numerous reported configurations across various databases. This structural richness suggests a versatile platform for exploring how atomic arrangements influence electronic behavior in light-element systems.

At a glance

Key Properties

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

Band Gap

0.38–1.73 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

103
4 databases, 26 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting LiB.

Sol Gel
Procedure available · ceder_sol_gel
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Reference

Frequently Asked Questions

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

What is LiB?

LiB is a stable, semiconducting compound formed from lithium and boron that is noted for its extensive structural diversity.

More questions
What is the band gap of LiB?
LiB has a DFT-computed band gap of 0.38–1.73 eV across 103 reported structures.
Is LiB a metal, semiconductor, or insulator?
With a band gap up to 1.73 eV it is a semiconductor.
Is LiB thermodynamically stable?
Yes — LiB sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of LiB are known?
103 structures of LiB are reported across 4 databases, spanning 26 distinct space groups.
How is LiB synthesized?
Literature-reported routes for LiB include sol gel, solid state (10 procedures documented).
What elements does LiB contain?
LiB contains B and Li (2 elements).
Where does the data for LiB come from?
LiB data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique binary phase, LiB serves as a foundational example of lithium-boron chemistry. Without direct structural siblings in this specific context, it stands as a primary reference point for understanding the interplay between alkali metal cations and boron frameworks in stable, semiconducting architectures.

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

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