Ag4C28F28H32O8S8
This complex organometallic compound consists of silver centers coordinated with fluorinated organic ligands containing sulfur and oxygen. It is primarily utilized in specialized research settings for the study of coordination chemistry and the development of metal-organic frameworks.
Key Properties
Cross-validated computational properties for Ag4C28F28H32O8S8, 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 Ag4C28F28H32O8S8, 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. |
|---|---|---|---|---|---|
| Pca21 (No. 29) | orthorhombic | 3.16 | 0.2593 | -5.600 | 2.12 |
| Pca21 (No. 29) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.55 |
Applications
Where Ag4C28F28H32O8S8 is used.
Frequently Asked Questions
Common questions about Ag4C28F28H32O8S8, answered from cross-validated data.
What is Ag4C28F28H32O8S8?
This complex organometallic compound consists of silver centers coordinated with fluorinated organic ligands containing sulfur and oxygen. It is primarily utilized in specialized research settings for the study of coordination chemistry and the development of metal-organic frameworks.
What is Ag4C28F28H32O8S8 used for?
What is the band gap of Ag4C28F28H32O8S8?
Is Ag4C28F28H32O8S8 a metal, semiconductor, or insulator?
Is Ag4C28F28H32O8S8 thermodynamically stable?
What is the crystal structure of Ag4C28F28H32O8S8?
What is the density of Ag4C28F28H32O8S8?
How many polymorphs of Ag4C28F28H32O8S8 are known?
What elements does Ag4C28F28H32O8S8 contain?
Where does the data for Ag4C28F28H32O8S8 come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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