BH8CN
This compound is a complex boron-containing molecule often studied in the context of chemical synthesis and materials research. It serves as a precursor or reagent in specialized chemical reactions involving boron and nitrogen frameworks.
Key Properties
Cross-validated computational properties for BH8CN, 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 BH8CN, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 6.16 | 0.1307 | -4.924 | 0.78 |
| Pnma (No. 62) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.11 |
Applications
Where BH8CN is used.
Frequently Asked Questions
Common questions about BH8CN, answered from cross-validated data.
What is BH8CN?
This compound is a complex boron-containing molecule often studied in the context of chemical synthesis and materials research. It serves as a precursor or reagent in specialized chemical reactions involving boron and nitrogen frameworks.
What is BH8CN used for?
What is the band gap of BH8CN?
Is BH8CN a metal, semiconductor, or insulator?
Is BH8CN thermodynamically stable?
What is the crystal structure of BH8CN?
What is the density of BH8CN?
How many polymorphs of BH8CN are known?
What elements does BH8CN contain?
Where does the data for BH8CN come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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