H2Fe2O4P2

H2Fe2O4P2 is a semiconducting transition-metal phosphate that exists as a metastable phase within the broader family of metal-phosphorus-oxygen compounds.

Overview

About H2Fe2O4P2

H2Fe2O4P2 is a transition-metal phosphate characterized by its semiconducting electronic nature. As a complex inorganic phase, it represents a specific arrangement of iron, hydrogen, oxygen, and phosphorus atoms that contributes to the diversity of the phosphate material class. Given its position relative to the thermodynamic hull, this compound is considered metastable. Its existence across multiple reported structures highlights the ongoing interest in understanding the phase space of iron-based phosphates in various chemical environments.

At a glance

Key Properties

Cross-validated computational properties for H2Fe2O4P2, aggregated across 3 databases.

Band Gap

1.50 eV
Range across DFT structures

Energy Above Hull

0.704 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

5
3 databases, 2 space groups
Reference

Frequently Asked Questions

Common questions about H2Fe2O4P2, answered from cross-validated data.

What is H2Fe2O4P2?

H2Fe2O4P2 is a semiconducting transition-metal phosphate that exists as a metastable phase within the broader family of metal-phosphorus-oxygen compounds.

More questions
What is the band gap of H2Fe2O4P2?
H2Fe2O4P2 has a DFT-computed band gap of 1.50 eV across 5 reported structures.
Is H2Fe2O4P2 a metal, semiconductor, or insulator?
With a band gap up to 1.50 eV it is a semiconductor.
Is H2Fe2O4P2 thermodynamically stable?
H2Fe2O4P2 has a lowest energy above hull of 0.704 eV/atom (above hull).
How many polymorphs of H2Fe2O4P2 are known?
5 structures of H2Fe2O4P2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does H2Fe2O4P2 contain?
H2Fe2O4P2 contains Fe, H, O, and P (4 elements).
Where does the data for H2Fe2O4P2 come from?
H2Fe2O4P2 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the transition-metal phosphates class.

Within the transition-metal phosphate family, H2Fe2O4P2 occupies a distinct niche compared to well-known battery materials like LiFePO4 or FePO4. While members like LiFePO4 are celebrated for their exceptional thermodynamic stability and utility in energy storage, H2Fe2O4P2 is structurally more complex and less inherently stable, reflecting the broader structural variety found in hydrated or protonated phosphate systems compared to the simple olivine-type structures.

Explore

Related Compounds

Other Transition-Metal Phosphates in the database.

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

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