B5H9
Pentaborane · Pentaborane(9)
Pentaborane is a highly reactive boron hydride compound that exists as a volatile liquid. It has been historically investigated for its potential as a high-energy fuel source due to its significant heat release upon combustion.
Key Properties
Cross-validated computational properties for Pentaborane, 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 B5H9, 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. |
|---|---|---|---|---|---|
| P43 (No. 78) | tetragonal | 5.96 | 0.0192 | -4.907 | 0.73 |
| P41 (No. 76) | tetragonal | 5.98 | 0.0198 | -4.907 | 0.73 |
| I4mm (No. 107) | tetragonal | 5.71 | 0.0284 | -4.898 | 0.75 |
| I4mm (No. 107) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
| I4mm (No. 107) | Tetragonal | — | — | — | 0.74 |
| I4mm (No. 107) | Tetragonal | — | — | — | 0.74 |
| I4mm (No. 107) | Tetragonal | — | — | — | 0.74 |
Applications
Where Pentaborane is used.
Frequently Asked Questions
Common questions about Pentaborane, answered from cross-validated data.
What is B5H9?
Pentaborane is a highly reactive boron hydride compound that exists as a volatile liquid. It has been historically investigated for its potential as a high-energy fuel source due to its significant heat release upon combustion.
What is B5H9 used for?
What is the band gap of B5H9?
Is B5H9 a metal, semiconductor, or insulator?
Is B5H9 thermodynamically stable?
What is the crystal structure of B5H9?
What is the density of B5H9?
How many polymorphs of B5H9 are known?
What elements does B5H9 contain?
Where does the data for B5H9 come from?
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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