H56B40S4

H56B40S4 is a thermodynamically stable, semiconducting boron-sulfur-hydrogen compound investigated for its potential in hydrogen storage technologies.

Crystal structure of H56B40S4
Ground-state structure · Materials Project
Overview

About H56B40S4

H56B40S4 is a complex, thermodynamically stable hydride that incorporates boron and sulfur into its structural framework. As a semiconducting material, it represents a specialized niche within the broader family of hydrogen storage compounds, offering unique electronic properties that distinguish it from simple metallic or ionic hydrides. Its position on the convex hull suggests a robust structural integrity that is highly valued for fundamental materials research. This compound is primarily investigated for its potential to store and release hydrogen, contributing to the development of efficient energy carriers. By leveraging the specific bonding characteristics of boron and sulfur, researchers aim to optimize the kinetics and capacity of hydrogen uptake in advanced storage systems.

At a glance

Key Properties

Cross-validated computational properties for H56B40S4, aggregated across 3 databases.

Band Gap

2.35–2.55 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

7
3 databases, 2 space groups
Uses

Applications

Where H56B40S4 is used.

Hydrogen storage researchAdvanced energy materials development
Reference

Frequently Asked Questions

Common questions about H56B40S4, answered from cross-validated data.

What is H56B40S4?

H56B40S4 is a thermodynamically stable, semiconducting boron-sulfur-hydrogen compound investigated for its potential in hydrogen storage technologies.

More questions
What is H56B40S4 used for?
H56B40S4 is used in hydrogen storage research and advanced energy materials development.
What is the band gap of H56B40S4?
H56B40S4 has a DFT-computed band gap of 2.35–2.55 eV across 7 reported structures.
Is H56B40S4 a metal, semiconductor, or insulator?
With a band gap up to 2.55 eV it is a semiconductor.
Is H56B40S4 thermodynamically stable?
Yes — H56B40S4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of H56B40S4 are known?
7 structures of H56B40S4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does H56B40S4 contain?
H56B40S4 contains B, H, and S (3 elements).
Where does the data for H56B40S4 come from?
H56B40S4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the hydrogen storage hydrides class.

Unlike the simple binary metal hydrides such as LiH, MgH2, or CaH2, which are typically characterized by ionic or covalent bonding between a metal and hydrogen, H56B40S4 utilizes a more complex architecture involving non-metal elements. While compounds like AlH3 or BH3 focus on high-density hydrogen packing, H56B40S4 provides a distinct electronic profile due to its semiconducting nature, setting it apart from the more traditional insulating or metallic hydride siblings in the class.

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Related Compounds

Other Hydrogen Storage Hydrides in the database.

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

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