Cl4Fe8O16P4

Cl4Fe8O16P4 is a thermodynamically stable, insulating transition-metal phosphate used primarily in fundamental materials science research.

Crystal structure of Cl4Fe8O16P4
Ground-state structure · Materials Project
Overview

About Cl4Fe8O16P4

Cl4Fe8O16P4 is a complex transition-metal phosphate characterized by its insulating electronic nature and high thermodynamic stability. As a material residing on the convex hull, it represents a robust structural arrangement within the phosphate family, making it a significant subject for structural analysis and materials characterization. Its unique stoichiometry involving chlorine and iron suggests potential for specialized chemical environments.

The compound is primarily utilized in academic and industrial research settings focused on the synthesis of advanced inorganic frameworks. By leveraging its stable configuration, researchers can investigate the fundamental properties of iron-based phosphates to better understand ion transport and structural integrity in complex crystalline lattices.

At a glance

Key Properties

Cross-validated computational properties for Cl4Fe8O16P4, aggregated across 3 databases.

Band Gap

0.60–3.85 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

4
3 databases, 2 space groups
Uses

Applications

Where Cl4Fe8O16P4 is used.

Fundamental materials researchStructural crystallographyInorganic framework synthesis
Reference

Frequently Asked Questions

Common questions about Cl4Fe8O16P4, answered from cross-validated data.

What is Cl4Fe8O16P4?

Cl4Fe8O16P4 is a thermodynamically stable, insulating transition-metal phosphate used primarily in fundamental materials science research.

More questions
What is Cl4Fe8O16P4 used for?
Cl4Fe8O16P4 is used in fundamental materials research, structural crystallography, and inorganic framework synthesis.
What is the band gap of Cl4Fe8O16P4?
Cl4Fe8O16P4 has a DFT-computed band gap of 0.60–3.85 eV across 4 reported structures.
Is Cl4Fe8O16P4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.85 eV it is an insulator / wide-band-gap material.
Is Cl4Fe8O16P4 thermodynamically stable?
Yes — Cl4Fe8O16P4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Cl4Fe8O16P4 are known?
4 structures of Cl4Fe8O16P4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Cl4Fe8O16P4 contain?
Cl4Fe8O16P4 contains Cl, Fe, O, and P (4 elements).
Where does the data for Cl4Fe8O16P4 come from?
Cl4Fe8O16P4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the transition-metal phosphates class.

Within the diverse class of transition-metal phosphates, Cl4Fe8O16P4 occupies a distinct niche compared to well-known battery cathode materials like LiFePO4 or LiMnPO4. While its siblings are frequently studied for their electrochemical activity and lithium-ion storage capabilities, Cl4Fe8O16P4 is distinguished by its unique anionic composition and insulating character, positioning it as a specialized structural model rather than a direct functional equivalent to the olivine-structured phosphates.

Explore

Related Compounds

Other Transition-Metal Phosphates in the database.

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

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