CrPO5

CrPO5 is a metastable semiconducting transition-metal phosphate that provides a unique structural framework for materials research.

Crystal structure of CrPO5
Ground-state structure · Materials Project
Overview

About CrPO5

CrPO5 is a transition-metal phosphate characterized by its semiconducting electronic nature. As a metastable phase, it represents a complex structural arrangement within the phosphate family, offering researchers a distinct platform for investigating ion transport and structural stability in inorganic frameworks.

This compound is of significant interest in materials science due to its structural diversity, with numerous reported configurations across major databases. Its role in the broader class of transition-metal phosphates highlights the ongoing effort to map the phase space of these materials for advanced electrochemical and catalytic applications.

At a glance

Key Properties

Cross-validated computational properties for CrPO5, aggregated across 3 databases.

Band Gap

0.22–1.75 eV
Range across DFT structures

Energy Above Hull

0.043 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

28
3 databases, 7 space groups
Uses

Applications

Where CrPO5 is used.

Materials science researchStructural chemistry studiesCatalytic material exploration
Reference

Frequently Asked Questions

Common questions about CrPO5, answered from cross-validated data.

What is CrPO5?

CrPO5 is a metastable semiconducting transition-metal phosphate that provides a unique structural framework for materials research.

More questions
What is CrPO5 used for?
CrPO5 is used in materials science research, structural chemistry studies, and catalytic material exploration.
What is the band gap of CrPO5?
CrPO5 has a DFT-computed band gap of 0.22–1.75 eV across 28 reported structures.
Is CrPO5 a metal, semiconductor, or insulator?
With a band gap up to 1.75 eV it is a semiconductor.
Is CrPO5 thermodynamically stable?
CrPO5 has a lowest energy above hull of 0.043 eV/atom (metastable).
How many polymorphs of CrPO5 are known?
28 structures of CrPO5 are reported across 3 databases, spanning 7 distinct space groups.
What elements does CrPO5 contain?
CrPO5 contains Cr, O, and P (3 elements).
Where does the data for CrPO5 come from?
CrPO5 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the transition-metal phosphates class.

Within the diverse family of transition-metal phosphates, CrPO5 occupies a distinct niche compared to more widely utilized battery materials like LiFePO4 or LiMnPO4. While its siblings are often explored for their robust electrochemical performance and thermodynamic stability, CrPO5 serves as a compelling subject for studying metastable structural transitions and electronic behavior in chromium-based systems.

Explore

Related Compounds

Other Transition-Metal Phosphates in the database.

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

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