C6H28Ag2Cl2N12O2S6

This is a metastable silver-containing coordination complex characterized by its insulating electronic behavior.

AgCClHNOS
Crystal structure of C6H28Ag2Cl2N12O2S6
Ground-state structure · Materials Project
Overview

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.

At a glance

Key Properties

Cross-validated computational properties for C6H28Ag2Cl2N12O2S6, aggregated across 3 databases.

Band Gap

3.03 eV
Range across DFT structures

Energy Above Hull

0.030 eV/atom
Best (lowest) across sources

Stability

Metastable
1 DFT source

Structures

4
3 databases, 2 space groups
Uses

Applications

Where C6H28Ag2Cl2N12O2S6 is used.

Coordination chemistry researchFundamental materials science studiesLigand-metal interaction investigation
Reference

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.

More questions
What is C6H28Ag2Cl2N12O2S6 used for?
C6H28Ag2Cl2N12O2S6 is used in coordination chemistry research, fundamental materials science studies, and ligand-metal interaction investigation.
What is the band gap of C6H28Ag2Cl2N12O2S6?
C6H28Ag2Cl2N12O2S6 has a DFT-computed band gap of 3.03 eV across 4 reported structures.
Is C6H28Ag2Cl2N12O2S6 a metal, semiconductor, or insulator?
With a wide band gap up to 3.03 eV it is an insulator / wide-band-gap material.
Is C6H28Ag2Cl2N12O2S6 thermodynamically stable?
C6H28Ag2Cl2N12O2S6 has a lowest energy above hull of 0.030 eV/atom (metastable).
How many polymorphs of C6H28Ag2Cl2N12O2S6 are known?
4 structures of C6H28Ag2Cl2N12O2S6 are reported across 3 databases, spanning 2 distinct space groups.
What elements does C6H28Ag2Cl2N12O2S6 contain?
C6H28Ag2Cl2N12O2S6 contains Ag, C, Cl, H, N, O, and S (7 elements).
Where does the data for C6H28Ag2Cl2N12O2S6 come from?
C6H28Ag2Cl2N12O2S6 data is cross-referenced from latticegraph.
Comparison

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
  • latticegraph — Lattice Graph Materials Intelligence Platform

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