Au4C16H8K4N16O4

Au4C16H8K4N16O4 is a complex, metastable gold-containing coordination compound that functions as a wide-gap insulator.

AuCHKNO
Crystal structure of Au4C16H8K4N16O4
Ground-state structure · Materials Project
Overview

About Au4C16H8K4N16O4

Au4C16H8K4N16O4 is a complex coordination compound featuring gold centers integrated into a dense organic-inorganic framework. Its structure is defined by a wide-gap insulating electronic character, which dictates its potential behavior in specialized chemical environments.

Due to its position above the thermodynamic hull, this material is considered metastable, making it a subject of interest for researchers studying synthetic pathways and structural evolution in gold-based coordination chemistry.

At a glance

Key Properties

Cross-validated computational properties for Au4C16H8K4N16O4, aggregated across 3 databases.

Band Gap

4.27 eV
Range across DFT structures

Energy Above Hull

0.350 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

3
3 databases, 2 space groups
Uses

Applications

Where Au4C16H8K4N16O4 is used.

Fundamental materials science researchCoordination chemistry studiesSynthetic methodology development
Reference

Frequently Asked Questions

Common questions about Au4C16H8K4N16O4, answered from cross-validated data.

What is Au4C16H8K4N16O4?

Au4C16H8K4N16O4 is a complex, metastable gold-containing coordination compound that functions as a wide-gap insulator.

More questions
What is Au4C16H8K4N16O4 used for?
Au4C16H8K4N16O4 is used in fundamental materials science research, coordination chemistry studies, and synthetic methodology development.
What is the band gap of Au4C16H8K4N16O4?
Au4C16H8K4N16O4 has a DFT-computed band gap of 4.27 eV across 3 reported structures.
Is Au4C16H8K4N16O4 a metal, semiconductor, or insulator?
With a wide band gap up to 4.27 eV it is an insulator / wide-band-gap material.
Is Au4C16H8K4N16O4 thermodynamically stable?
Au4C16H8K4N16O4 has a lowest energy above hull of 0.350 eV/atom (above hull).
How many polymorphs of Au4C16H8K4N16O4 are known?
3 structures of Au4C16H8K4N16O4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Au4C16H8K4N16O4 contain?
Au4C16H8K4N16O4 contains Au, C, H, K, N, and O (6 elements).
Where does the data for Au4C16H8K4N16O4 come from?
Au4C16H8K4N16O4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique gold-based coordination complex, this compound represents a specialized niche in materials science. Unlike more conventional, thermodynamically stable coordination polymers, its metastable nature provides a distinct case study for understanding the synthesis and stabilization of complex gold-nitrogen-oxygen frameworks.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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