BH6N
Ammonia borane · AB, Borazane
Ammonia borane is a stable, solid chemical compound that serves as a high-capacity carrier for hydrogen. It is primarily researched for its potential to store and release hydrogen gas efficiently for clean energy and fuel cell technologies.
Key Properties
Cross-validated computational properties for Ammonia borane, 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 BH6N, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 6.02 | 0.0469 | -4.957 | 0.86 |
| P1 (No. 1) | triclinic | 5.92 | 0.0511 | -4.953 | 0.76 |
| P21 (No. 4) | monoclinic | 5.99 | 0.0530 | -4.951 | 0.88 |
| Pmn21 (No. 31) | orthorhombic | 6.11 | 0.0532 | -4.951 | 0.80 |
| Cmc21 (No. 36) | orthorhombic | 6.11 | 0.0549 | -4.949 | 0.76 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0555 | -4.948 | 0.88 |
| P21 (No. 4) | monoclinic | 5.79 | 0.0633 | -4.941 | 0.82 |
| Imm2 (No. 44) | orthorhombic | 2.70 | 0.3363 | -4.668 | 0.48 |
| P21 (No. 4) | Monoclinic | — | — | — | 0.88 |
| P21 (No. 4) | Monoclinic | — | — | — | 0.83 |
| P21 (No. 4) | Monoclinic | — | — | — | 0.88 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 0.88 |
Applications
Where Ammonia borane is used.
Frequently Asked Questions
Common questions about Ammonia borane, answered from cross-validated data.
What is BH6N?
Ammonia borane is a stable, solid chemical compound that serves as a high-capacity carrier for hydrogen. It is primarily researched for its potential to store and release hydrogen gas efficiently for clean energy and fuel cell technologies.
What is BH6N used for?
What is the band gap of BH6N?
Is BH6N a metal, semiconductor, or insulator?
Is BH6N thermodynamically stable?
What is the crystal structure of BH6N?
What is the density of BH6N?
How many polymorphs of BH6N are known?
What elements does BH6N contain?
Where does the data for BH6N come from?
Related Compounds
Other Nitride Semiconductors 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.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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