C16H56Al8Cl32S8
C16H56Al8Cl32S8 is a thermodynamically stable, insulating molecular compound composed of aluminum, carbon, chlorine, hydrogen, and sulfur.
About C16H56Al8Cl32S8
C16H56Al8Cl32S8 is a complex molecular structure composed of aluminum, carbon, chlorine, hydrogen, and sulfur. As a thermodynamically stable compound residing on the convex hull, it represents a robust configuration within its chemical system.
This material functions as a wide-gap insulator, characterized by its electronic properties that restrict charge carrier mobility. Its unique structural arrangement makes it a subject of interest for fundamental studies in inorganic molecular chemistry and material synthesis.
Key Properties
Cross-validated computational properties for C16H56Al8Cl32S8, 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 C16H56Al8Cl32S8, 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 | 4.67 | 0.0000 | -4.654 | 1.34 |
| — | — | — | — | — | 1.38 |
| No. 0 | unknown | — | — | — | 0.40 |
| — | — | — | — | — | 1.38 |
Applications
Where C16H56Al8Cl32S8 is used.
Frequently Asked Questions
Common questions about C16H56Al8Cl32S8, answered from cross-validated data.
What is C16H56Al8Cl32S8?
C16H56Al8Cl32S8 is a thermodynamically stable, insulating molecular compound composed of aluminum, carbon, chlorine, hydrogen, and sulfur.
What is C16H56Al8Cl32S8 used for?
What is the band gap of C16H56Al8Cl32S8?
Is C16H56Al8Cl32S8 a metal, semiconductor, or insulator?
Is C16H56Al8Cl32S8 thermodynamically stable?
What is the crystal structure of C16H56Al8Cl32S8?
What is the density of C16H56Al8Cl32S8?
How many polymorphs of C16H56Al8Cl32S8 are known?
What elements does C16H56Al8Cl32S8 contain?
Where does the data for C16H56Al8Cl32S8 come from?
How It Compares
As a distinct molecular entity, this compound occupies a unique position within its chemical class, serving as a stable building block for complex inorganic 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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