LiBH4

Lithium borohydride · Lithium tetrahydroborate

Lithium borohydride is a stable, insulating complex hydride primarily researched for its high capacity in solid-state hydrogen storage systems.

Crystal structure of LiBH4
Ground-state structure · Materials Project
Overview

About Lithium borohydride

Lithium borohydride is a prominent hydrogen storage hydride characterized by its wide-band-gap insulating electronic structure. As a thermodynamically stable compound residing on the convex hull, it represents a highly efficient medium for chemical energy storage applications.

Its significance stems from its high hydrogen density, making it a focal point for research into solid-state fuel systems. The material's robust stability profile and structural diversity, evidenced by numerous reported configurations, underscore its potential for advanced hydrogen delivery technologies.

At a glance

Key Properties

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

Band Gap

0.94–6.82 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

38
3 databases, 8 space groups
Uses

Applications

Where Lithium borohydride is used.

Hydrogen storage mediaReducing agent in organic synthesisSolid-state electrolyte research
Intellectual Property

Patent Landscape

1 patent reference LiBH4 or close compositional variants.

PatentTitleAssigneeGranted
11769873Ion conductor containing Li2B12H12 and LiBH4, method for producing same, and solid electrolyte for all-solid-s
Reference

Frequently Asked Questions

Common questions about Lithium borohydride, answered from cross-validated data.

What is LiBH4?

Lithium borohydride is a stable, insulating complex hydride primarily researched for its high capacity in solid-state hydrogen storage systems.

More questions
What is LiBH4 used for?
Lithium borohydride (LiBH4) is used in hydrogen storage media, reducing agent in organic synthesis, and solid-state electrolyte research.
What is the band gap of LiBH4?
Lithium borohydride (LiBH4) has a DFT-computed band gap of 0.94–6.82 eV across 38 reported structures.
Is LiBH4 a metal, semiconductor, or insulator?
With a wide band gap up to 6.82 eV it is an insulator / wide-band-gap material.
Is LiBH4 thermodynamically stable?
Yes — Lithium borohydride (LiBH4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of LiBH4 are known?
38 structures of LiBH4 are reported across 3 databases, spanning 8 distinct space groups.
What elements does LiBH4 contain?
Lithium borohydride (LiBH4) contains B, H, and Li (3 elements).
Where does the data for LiBH4 come from?
LiBH4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the hydrogen storage hydrides class.

Within the class of hydrogen storage hydrides, lithium borohydride offers a distinct balance of stability compared to simpler binary hydrides like LiH or MgH2. While compounds such as AlH3 or BH3 often present challenges regarding kinetic release or synthesis, lithium borohydride is recognized for its relative thermodynamic favorability and structural complexity.

Explore

Related Compounds

Other Hydrogen Storage Hydrides in the database.

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

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