LiBH

LiBH is a thermodynamically stable, insulating hydride utilized in the study and development of solid-state hydrogen storage technologies.

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

About LiBH

LiBH is a thermodynamically stable hydride belonging to the hydrogen storage materials class. As a wide-gap insulator, it exhibits distinct electronic properties that influence its behavior in chemical bonding and ion transport, making it a subject of significant interest for researchers investigating solid-state hydrogen carriers.

Its structural diversity is evidenced by numerous reported configurations across multiple databases. This complexity highlights its potential utility in energy storage applications where stable, high-capacity hydrogen-bearing compounds are required to meet performance demands.

At a glance

Key Properties

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

Band Gap

0.47–5.61 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

11
3 databases, 7 space groups
Uses

Applications

Where LiBH is used.

Hydrogen storage researchSolid-state energy materialsChemical energy storage systems
Reference

Frequently Asked Questions

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

What is LiBH?

LiBH is a thermodynamically stable, insulating hydride utilized in the study and development of solid-state hydrogen storage technologies.

More questions
What is LiBH used for?
LiBH is used in hydrogen storage research, solid-state energy materials, and chemical energy storage systems.
What is the band gap of LiBH?
LiBH has a DFT-computed band gap of 0.47–5.61 eV across 11 reported structures.
Is LiBH a metal, semiconductor, or insulator?
With a wide band gap up to 5.61 eV it is an insulator / wide-band-gap material.
Is LiBH thermodynamically stable?
Yes — LiBH sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of LiBH are known?
11 structures of LiBH are reported across 3 databases, spanning 7 distinct space groups.
What elements does LiBH contain?
LiBH contains B, H, and Li (3 elements).
Where does the data for LiBH come from?
LiBH data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the hydrogen storage hydrides class.

Within the class of hydrogen storage hydrides, LiBH occupies a unique position compared to simpler binary systems like LiH or MgH2. While many hydrides in this group are valued for their high hydrogen density, LiBH offers a different structural landscape, providing a complex alternative to more traditional materials like CaH2 or AlH3 in the pursuit of optimized reversible hydrogen release.

Explore

Related Compounds

Other Hydrogen Storage Hydrides in the database.

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

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