Cl2Fe2Mo2O8

Cl2Fe2Mo2O8 is a semiconducting iron molybdenum oxychloride that is considered a promising candidate for experimental synthesis.

ClFeMoO
Crystal structure of Cl2Fe2Mo2O8
Ground-state structure · Materials Project
Overview

About Cl2Fe2Mo2O8

Cl2Fe2Mo2O8 is a complex oxychloride containing iron and molybdenum. As a semiconducting material, it represents a unique intersection of transition metal chemistry and halide-oxide coordination, providing a distinct electronic environment for potential functional applications. Its status as a near-hull phase suggests that it is a viable target for experimental synthesis, making it a compelling subject for materials discovery efforts. The structural complexity inherent in this compound allows for interesting magnetic and electronic behaviors that are characteristic of mixed-anion transition metal systems. By bridging the gap between simple oxides and halides, this compound serves as a valuable model for understanding structural stability and electronic tuning in multi-component inorganic frameworks.

At a glance

Key Properties

Cross-validated computational properties for Cl2Fe2Mo2O8, aggregated across 2 databases.

Band Gap

1.57–1.87 eV
Range across DFT structures

Energy Above Hull

0.018 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
1 DFT source

Structures

7
2 databases, 3 space groups
Uses

Applications

Where Cl2Fe2Mo2O8 is used.

Solid-state researchMaterials discoveryFundamental electronic property studies
Reference

Frequently Asked Questions

Common questions about Cl2Fe2Mo2O8, answered from cross-validated data.

What is Cl2Fe2Mo2O8?

Cl2Fe2Mo2O8 is a semiconducting iron molybdenum oxychloride that is considered a promising candidate for experimental synthesis.

More questions
What is Cl2Fe2Mo2O8 used for?
Cl2Fe2Mo2O8 is used in solid-state research, materials discovery, and fundamental electronic property studies.
What is the band gap of Cl2Fe2Mo2O8?
Cl2Fe2Mo2O8 has a DFT-computed band gap of 1.57–1.87 eV across 7 reported structures.
Is Cl2Fe2Mo2O8 a metal, semiconductor, or insulator?
With a band gap up to 1.87 eV it is a semiconductor.
Is Cl2Fe2Mo2O8 thermodynamically stable?
Cl2Fe2Mo2O8 has a lowest energy above hull of 0.018 eV/atom (near hull (likely stable)).
How many polymorphs of Cl2Fe2Mo2O8 are known?
7 structures of Cl2Fe2Mo2O8 are reported across 2 databases, spanning 3 distinct space groups.
What elements does Cl2Fe2Mo2O8 contain?
Cl2Fe2Mo2O8 contains Cl, Fe, Mo, and O (4 elements).
Where does the data for Cl2Fe2Mo2O8 come from?
Cl2Fe2Mo2O8 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a specialized oxychloride, this compound occupies a unique niche in inorganic materials science, serving as a distinct example of how incorporating chlorine into a metal-oxide framework can modulate electronic and structural properties compared to conventional transition metal oxides.

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

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