Ag4C4N4S4
Ag4C4N4S4 is a semiconducting silver-based coordination compound known for its complex structural variety.
About Ag4C4N4S4
Ag4C4N4S4 is a complex silver-based coordination compound characterized by its semiconducting electronic nature. Its intricate atomic arrangement features a combination of silver, carbon, nitrogen, and sulfur, reflecting a sophisticated structural chemistry that has been captured in numerous experimental reports across scientific databases. While its thermodynamic profile suggests it exists in a metastable state above the hull, this compound remains a significant subject of study for researchers investigating the synthesis of novel silver-containing frameworks. Its unique composition makes it an interesting candidate for exploring electronic properties in complex inorganic architectures.
Key Properties
Cross-validated computational properties for Ag4C4N4S4, aggregated across 4 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 Ag4C4N4S4, 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. |
|---|---|---|---|---|---|
| Pnnm (No. 58) | orthorhombic | 2.28 | 0.1548 | -12.006 | 3.19 |
| C2/c (No. 15) | monoclinic | 2.69 | 0.1668 | -11.994 | 3.38 |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.48 |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
Applications
Where Ag4C4N4S4 is used.
Frequently Asked Questions
Common questions about Ag4C4N4S4, answered from cross-validated data.
What is Ag4C4N4S4?
Ag4C4N4S4 is a semiconducting silver-based coordination compound known for its complex structural variety.
What is Ag4C4N4S4 used for?
What is the band gap of Ag4C4N4S4?
Is Ag4C4N4S4 a metal, semiconductor, or insulator?
Is Ag4C4N4S4 thermodynamically stable?
What is the crystal structure of Ag4C4N4S4?
What is the density of Ag4C4N4S4?
How many polymorphs of Ag4C4N4S4 are known?
What elements does Ag4C4N4S4 contain?
Where does the data for Ag4C4N4S4 come from?
How It Compares
As a specialized silver-based coordination compound, Ag4C4N4S4 represents a distinct niche in inorganic materials chemistry. Unlike more common, highly stable bulk materials, its metastable nature highlights the challenges and opportunities in synthesizing and stabilizing complex, semiconducting coordination networks that deviate from standard thermodynamic ground states.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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