Cl4Cr4K4O12

Cl4Cr4K4O12 is a metastable semiconducting inorganic compound composed of chlorine, chromium, potassium, and oxygen.

ClCrKO
Crystal structure of Cl4Cr4K4O12
Ground-state structure · Materials Project
Overview

About Cl4Cr4K4O12

Cl4Cr4K4O12 is an inorganic compound characterized by its semiconducting electronic nature. As a metastable phase, it represents a specific configuration of chlorine, chromium, potassium, and oxygen atoms that offers intriguing possibilities for materials research and specialized chemical synthesis.

Its structural complexity and electronic properties make it a subject of interest for those studying metastable inorganic systems. Understanding the behavior of this compound provides insights into the broader landscape of chromium-based oxychlorides and their potential utility in electronic applications.

At a glance

Key Properties

Cross-validated computational properties for Cl4Cr4K4O12, aggregated across 3 databases.

Band Gap

2.79 eV
Range across DFT structures

Energy Above Hull

0.067 eV/atom
Best (lowest) across sources

Stability

Metastable
1 DFT source

Structures

5
3 databases, 2 space groups
Reference

Frequently Asked Questions

Common questions about Cl4Cr4K4O12, answered from cross-validated data.

What is Cl4Cr4K4O12?

Cl4Cr4K4O12 is a metastable semiconducting inorganic compound composed of chlorine, chromium, potassium, and oxygen.

More questions
What is the band gap of Cl4Cr4K4O12?
Cl4Cr4K4O12 has a DFT-computed band gap of 2.79 eV across 5 reported structures.
Is Cl4Cr4K4O12 a metal, semiconductor, or insulator?
With a band gap up to 2.79 eV it is a semiconductor.
Is Cl4Cr4K4O12 thermodynamically stable?
Cl4Cr4K4O12 has a lowest energy above hull of 0.067 eV/atom (metastable).
How many polymorphs of Cl4Cr4K4O12 are known?
5 structures of Cl4Cr4K4O12 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Cl4Cr4K4O12 contain?
Cl4Cr4K4O12 contains Cl, Cr, K, and O (4 elements).
Where does the data for Cl4Cr4K4O12 come from?
Cl4Cr4K4O12 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a metastable semiconducting phase, Cl4Cr4K4O12 occupies a unique niche in inorganic chemistry. While it lacks direct structural siblings in this context, its existence highlights the diversity of chromium-potassium-oxygen frameworks, serving as a distinct example of how specific stoichiometry can influence electronic stability.

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

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