FeSO5

This compound is a complex iron-sulfur-oxygen species that is primarily studied in the context of advanced chemical synthesis and specialized catalytic research. It is generally considered an unstable or transient intermediate rather than a stable bulk material used in consumer products.

Crystal structure of FeSO5 (monoclinic, C2/c (No. 15))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for FeSO5, aggregated across 3 databases.

Band Gap

0.23 eV
Range across DFT structures

Energy Above Hull

0.148 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

14
3 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for FeSO5, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
C2/c (No. 15)monoclinic0.230.1476-6.8723.23
C2/c (No. 15)monoclinic0.000.1567-6.8633.28
Pnma (No. 62)orthorhombic0.000.1574-6.8633.28
C2/c (No. 15)Monoclinic3.28
C2/c (No. 15)Monoclinic3.64
C2/c (No. 15)Monoclinic3.44
C2/c (No. 15)Monoclinic3.23
C2/c (No. 15)Monoclinic3.57
C2/c (No. 15)Monoclinic3.37
Pnma (No. 62)Orthorhombic3.65
No. 0unknown1.05
No. 0unknown0.85
Uses

Applications

Where FeSO5 is used.

Chemical researchCatalysis studiesSynthetic chemistry
Reference

Frequently Asked Questions

Common questions about FeSO5, answered from cross-validated data.

What is FeSO5?

This compound is a complex iron-sulfur-oxygen species that is primarily studied in the context of advanced chemical synthesis and specialized catalytic research. It is generally considered an unstable or transient intermediate rather than a stable bulk material used in consumer products.

More questions
What is FeSO5 used for?
FeSO5 is used in chemical research, catalysis studies, and synthetic chemistry.
What is the band gap of FeSO5?
FeSO5 has a DFT-computed band gap of 0.23 eV across 14 reported structures.
Is FeSO5 a metal, semiconductor, or insulator?
With a band gap up to 0.23 eV it is a semiconductor.
Is FeSO5 thermodynamically stable?
FeSO5 has a lowest energy above hull of 0.148 eV/atom (above hull).
What is the crystal structure of FeSO5?
The lowest-energy reported polymorph of FeSO5 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of FeSO5?
The computed density of the ground-state structure of FeSO5 is 3.23 g/cm³.
How many polymorphs of FeSO5 are known?
14 structures of FeSO5 are reported across 3 databases, spanning 3 distinct space groups.
What elements does FeSO5 contain?
FeSO5 contains Fe, O, and S (3 elements).
Where does the data for FeSO5 come from?
FeSO5 data is cross-referenced from materials_project, mpaloe, cod.
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Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).

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