B18Cs2H28
B18Cs2H28 is a complex, insulating boron-hydrogen compound studied for its potential role in solid-state hydrogen storage technologies.
About B18Cs2H28
B18Cs2H28 is a complex boron-based hydride that functions as a wide-band-gap insulator. Its unique chemical architecture makes it a subject of interest for researchers investigating advanced solid-state hydrogen storage solutions.
As a metastable compound, it represents a specialized niche within the broader family of metal hydrides. Its structural complexity and electronic properties are critical for understanding how light-element frameworks can be stabilized for potential fuel storage and energy delivery systems.
Key Properties
Cross-validated computational properties for B18Cs2H28, 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 B18Cs2H28, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 3.81 | 0.0640 | -6.011 | 1.57 |
| No. 0 | unknown | — | — | — | 0.84 |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where B18Cs2H28 is used.
Frequently Asked Questions
Common questions about B18Cs2H28, answered from cross-validated data.
What is B18Cs2H28?
B18Cs2H28 is a complex, insulating boron-hydrogen compound studied for its potential role in solid-state hydrogen storage technologies.
What is B18Cs2H28 used for?
What is the band gap of B18Cs2H28?
Is B18Cs2H28 a metal, semiconductor, or insulator?
Is B18Cs2H28 thermodynamically stable?
What is the crystal structure of B18Cs2H28?
What is the density of B18Cs2H28?
How many polymorphs of B18Cs2H28 are known?
What elements does B18Cs2H28 contain?
Where does the data for B18Cs2H28 come from?
How It Compares
Within the hydrogen storage hydrides class.
Unlike simpler, binary ionic hydrides such as LiH or CaH2, which are often characterized by their straightforward lattice structures and high stability, B18Cs2H28 features a more intricate polyhedral arrangement. While traditional storage materials like MgH2 rely on direct metal-hydrogen bonding, this complex borohydride derivative offers a distinct chemical environment that differentiates it from the more common, industrially utilized members of the hydride class.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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