C6H28Ag2Cl2N12O2S6
This is a metastable silver-containing coordination complex characterized by its insulating electronic behavior.
About C6H28Ag2Cl2N12O2S6
C6H28Ag2Cl2N12O2S6 is a complex inorganic compound composed of silver, sulfur, and nitrogen-rich organic components. As a metastable material, it represents a unique structural arrangement that offers insights into the coordination chemistry of silver-thiolate and amine-based systems.
Its electronic character is defined by a wide band gap, classifying it as an insulator. This insulating nature, combined with its specific molecular architecture, makes it a subject of interest for researchers investigating the fundamental properties of metal-organic frameworks and coordination clusters.
Key Properties
Cross-validated computational properties for C6H28Ag2Cl2N12O2S6, 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 C6H28Ag2Cl2N12O2S6, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 3.03 | 0.0298 | -5.593 | 1.87 |
| — | — | — | — | — | 1.76 |
| No. 0 | unknown | — | — | — | 1.00 |
| — | — | — | — | — | 1.76 |
Applications
Where C6H28Ag2Cl2N12O2S6 is used.
Frequently Asked Questions
Common questions about C6H28Ag2Cl2N12O2S6, answered from cross-validated data.
What is C6H28Ag2Cl2N12O2S6?
This is a metastable silver-containing coordination complex characterized by its insulating electronic behavior.
What is C6H28Ag2Cl2N12O2S6 used for?
What is the band gap of C6H28Ag2Cl2N12O2S6?
Is C6H28Ag2Cl2N12O2S6 a metal, semiconductor, or insulator?
Is C6H28Ag2Cl2N12O2S6 thermodynamically stable?
What is the crystal structure of C6H28Ag2Cl2N12O2S6?
What is the density of C6H28Ag2Cl2N12O2S6?
How many polymorphs of C6H28Ag2Cl2N12O2S6 are known?
What elements does C6H28Ag2Cl2N12O2S6 contain?
Where does the data for C6H28Ag2Cl2N12O2S6 come from?
How It Compares
As a unique coordination complex with no direct structural siblings in this specific dataset, this compound serves as a distinct example of how silver centers can be stabilized within complex organic ligand environments to create metastable insulating solids.
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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