C12H36Al4Cl8O4Si4
C12H36Al4Cl8O4Si4 is a thermodynamically stable, insulating molecular compound composed of aluminum, silicon, carbon, hydrogen, oxygen, and chlorine.
About C12H36Al4Cl8O4Si4
C12H36Al4Cl8O4Si4 is a complex molecular compound characterized by a wide-gap insulating electronic structure. Its composition, involving aluminum, silicon, and organic components, places it within a specialized category of organometallic frameworks that exhibit high thermodynamic stability. This stability suggests a robust structural integrity under standard conditions, making it an intriguing subject for fundamental research into inorganic-organic hybrid materials.
As a thermodynamically stable species, this compound represents a well-defined structural arrangement that sits on the convex hull of its constituent elements. Its insulating nature and unique molecular architecture are of interest for researchers investigating dielectric materials or precursors for advanced thin-film deposition processes where precise control over atomic composition is required.
Key Properties
Cross-validated computational properties for C12H36Al4Cl8O4Si4, 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 C12H36Al4Cl8O4Si4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 5.38 | 0.0000 | -5.283 | 1.23 |
| — | — | — | — | — | 1.20 |
| No. 0 | unknown | — | — | — | 0.34 |
| — | — | — | — | — | 1.20 |
Applications
Where C12H36Al4Cl8O4Si4 is used.
Frequently Asked Questions
Common questions about C12H36Al4Cl8O4Si4, answered from cross-validated data.
What is C12H36Al4Cl8O4Si4?
C12H36Al4Cl8O4Si4 is a thermodynamically stable, insulating molecular compound composed of aluminum, silicon, carbon, hydrogen, oxygen, and chlorine.
What is C12H36Al4Cl8O4Si4 used for?
What is the band gap of C12H36Al4Cl8O4Si4?
Is C12H36Al4Cl8O4Si4 a metal, semiconductor, or insulator?
Is C12H36Al4Cl8O4Si4 thermodynamically stable?
What is the crystal structure of C12H36Al4Cl8O4Si4?
What is the density of C12H36Al4Cl8O4Si4?
How many polymorphs of C12H36Al4Cl8O4Si4 are known?
What elements does C12H36Al4Cl8O4Si4 contain?
Where does the data for C12H36Al4Cl8O4Si4 come from?
How It Compares
As a unique molecular entity, this compound serves as a distinct representative of its chemical class. Unlike more common binary or simple ternary systems, its complex stoichiometry allows for specialized interactions between the aluminum-oxygen and silicon-carbon frameworks, positioning it as a distinct structural model within the broader landscape of stable organometallic insulators.
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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