BH
BH is a metastable, metallic boron hydride compound investigated for its utility in hydrogen storage applications.
About BH
BH is a metastable boron-based hydride that exhibits metallic electronic characteristics. As a member of the hydrogen storage hydride class, it is a subject of significant interest in materials science due to its unique structural chemistry and potential for high-density hydrogen containment.
With extensive data available across multiple structural databases, this compound serves as a critical reference point for understanding the bonding behavior of light-element hydrides. Its metallic nature distinguishes it from many insulating hydride counterparts, making it a focal point for research into unconventional storage media.
Key Properties
Cross-validated computational properties for BH, aggregated across 4 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 BH, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 0.00 | 0.0971 | -5.393 | 0.97 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 2.41 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.04 |
| Cmm2 (No. 35) | Orthorhombic | — | — | — | 1.74 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 1.78 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 1.62 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 1.67 |
| P2/m (No. 10) | Monoclinic | — | — | — | 2.33 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.07 |
| C2/c (No. 15) | Monoclinic | — | — | — | 1.95 |
| P2/m (No. 10) | Monoclinic | — | — | — | 2.38 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.34 |
Applications
Where BH is used.
Frequently Asked Questions
Common questions about BH, answered from cross-validated data.
What is BH?
BH is a metastable, metallic boron hydride compound investigated for its utility in hydrogen storage applications.
What is BH used for?
What is the band gap of BH?
Is BH a metal, semiconductor, or insulator?
Is BH thermodynamically stable?
What is the crystal structure of BH?
What is the density of BH?
How many polymorphs of BH are known?
What elements does BH contain?
Where does the data for BH come from?
How It Compares
Within the hydrogen storage hydrides class.
Unlike the highly stable ionic hydrides such as LiH or CaH2, BH exists in a metastable state, which presents distinct challenges and opportunities for synthesis and kinetic control. While it shares the fundamental goal of hydrogen storage with compounds like AlH3 and MgH2, its metallic electronic character sets it apart from these more traditional, typically non-metallic hydride systems.
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).
- mpaloe — Data from mpaloe.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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