H24B24K24
H24B24K24 is a thermodynamically stable, insulating complex hydride designed for hydrogen storage applications.
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.
Key Properties
Cross-validated computational properties for H24B24K24, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for H24B24K24, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Fm-3 (No. 202) | cubic | 5.53 | 0.0000 | -5.857 | 2.50 |
| Fm-3m (No. 225) | cubic | 5.01 | 0.0475 | -5.821 | 2.24 |
| P21/c (No. 14) | monoclinic | 4.77 | 0.0643 | -5.795 | 2.58 |
| — | — | — | — | — | 1.93 |
| No. 0 | unknown | — | — | — | 0.28 |
Applications
Where H24B24K24 is used.
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.
What is H24B24K24 used for?
What is the band gap of H24B24K24?
Is H24B24K24 a metal, semiconductor, or insulator?
Is H24B24K24 thermodynamically stable?
What is the crystal structure of H24B24K24?
What is the density of H24B24K24?
How many polymorphs of H24B24K24 are known?
What elements does H24B24K24 contain?
Where does the data for H24B24K24 come from?
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.
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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