H24B24K24

H24B24K24 is a thermodynamically stable, insulating complex hydride designed for hydrogen storage applications.

Overview

About H24B24K24

H24B24K24 is a complex hydride material characterized by its insulating electronic nature and high thermodynamic stability. As a member of the hydrogen storage hydride class, its structural integrity makes it a subject of significant interest for researchers aiming to develop dense, safe, and efficient hydrogen carriers.

Its position on the convex hull indicates that this compound is inherently stable, which is a critical requirement for practical hydrogen storage applications. By effectively sequestering hydrogen within its lattice, this material contributes to the ongoing development of solid-state energy solutions that prioritize stability and safety.

At a glance

Key Properties

Cross-validated computational properties for H24B24K24, aggregated across 3 databases.

Band Gap

4.77–5.53 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

5
3 databases, 4 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for H24B24K24, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Fm-3 (No. 202)cubic5.530.0000-5.8572.50
Fm-3m (No. 225)cubic5.010.0475-5.8212.24
P21/c (No. 14)monoclinic4.770.0643-5.7952.58
1.93
No. 0unknown0.28
Uses

Applications

Where H24B24K24 is used.

Hydrogen storage researchSolid-state energy materials development
Reference

Frequently Asked Questions

Common questions about H24B24K24, answered from cross-validated data.

What is H24B24K24?

H24B24K24 is a thermodynamically stable, insulating complex hydride designed for hydrogen storage applications.

More questions
What is H24B24K24 used for?
H24B24K24 is used in hydrogen storage research and solid-state energy materials development.
What is the band gap of H24B24K24?
H24B24K24 has a DFT-computed band gap of 4.77–5.53 eV across 5 reported structures.
Is H24B24K24 a metal, semiconductor, or insulator?
With a wide band gap up to 5.53 eV it is an insulator / wide-band-gap material.
Is H24B24K24 thermodynamically stable?
Yes — H24B24K24 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of H24B24K24?
The lowest-energy reported polymorph of H24B24K24 is cubic symmetry, space group Fm-3 (No. 202).
What is the density of H24B24K24?
The computed density of the ground-state structure of H24B24K24 is 2.50 g/cm³.
How many polymorphs of H24B24K24 are known?
5 structures of H24B24K24 are reported across 3 databases, spanning 4 distinct space groups.
What elements does H24B24K24 contain?
H24B24K24 contains B, H, and K (3 elements).
Where does the data for H24B24K24 come from?
H24B24K24 data is cross-referenced from materials_project, omat24, cod.
Comparison

How It Compares

Within the hydrogen storage hydrides class.

Unlike simpler binary hydrides such as LiH or MgH2, H24B24K24 features a more intricate structural arrangement that influences its hydrogen release kinetics and overall stability profile. While materials like AlH3 or BH3 are often studied for their high gravimetric density, H24B24K24 offers a distinct alternative by leveraging the stabilizing influence of potassium, providing a unique balance of properties compared to traditional alkali or alkaline earth hydrides.

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Related Compounds

Other Hydrogen Storage Hydrides in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).

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