C6H18B6Cl18N6Si6
C6H18B6Cl18N6Si6 is a complex, wide-band-gap insulating compound that exists in a metastable state.
About C6H18B6Cl18N6Si6
C6H18B6Cl18N6Si6 is a complex, multi-element molecular species characterized by its wide-band-gap insulating electronic profile. Its intricate composition suggests a specialized role in chemical synthesis or materials research where specific electronic insulation is required.
As a metastable compound, it represents a unique structural configuration that offers insight into the stability of complex boron-silicon-nitrogen frameworks. Its existence in structural databases underscores its importance as a subject for fundamental studies in solid-state chemistry.
Key Properties
Cross-validated computational properties for C6H18B6Cl18N6Si6, 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 C6H18B6Cl18N6Si6, 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. |
|---|---|---|---|---|---|
| R3c (No. 161) | trigonal | 4.86 | 0.0489 | -5.543 | 1.41 |
| — | — | — | — | — | 1.42 |
| No. 0 | unknown | — | — | — | 0.09 |
Applications
Where C6H18B6Cl18N6Si6 is used.
Frequently Asked Questions
Common questions about C6H18B6Cl18N6Si6, answered from cross-validated data.
What is C6H18B6Cl18N6Si6?
C6H18B6Cl18N6Si6 is a complex, wide-band-gap insulating compound that exists in a metastable state.
What is C6H18B6Cl18N6Si6 used for?
What is the band gap of C6H18B6Cl18N6Si6?
Is C6H18B6Cl18N6Si6 a metal, semiconductor, or insulator?
Is C6H18B6Cl18N6Si6 thermodynamically stable?
What is the crystal structure of C6H18B6Cl18N6Si6?
What is the density of C6H18B6Cl18N6Si6?
How many polymorphs of C6H18B6Cl18N6Si6 are known?
What elements does C6H18B6Cl18N6Si6 contain?
Where does the data for C6H18B6Cl18N6Si6 come from?
How It Compares
As a unique, unclassified complex, this compound serves as a distinct point of reference for investigating the interplay between boron, silicon, and chlorine in insulating molecular architectures.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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