Fe2O4
Fe2O4 has a DFT band gap of 1.15 eV across 55 reported structures in 24 space groups. Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Fe2O4, aggregated across 4 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
1.15 eV
Range across DFT structures
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
0.145 eV/atom
Best (lowest) across sources
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
55
4 databases, 24 space groups
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting Fe2O4.
Solid State
Procedure available · ceder_solid_state
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Reference
Frequently Asked Questions
Common questions about Fe2O4, answered from cross-validated data.
What is the band gap of Fe2O4?
Fe2O4 has a DFT-computed band gap of 1.15 eV across 55 reported structures.
More questions
Is Fe2O4 a metal, semiconductor, or insulator?
With a band gap up to 1.15 eV it is a semiconductor.
Is Fe2O4 thermodynamically stable?
Fe2O4 has a lowest energy above hull of 0.145 eV/atom (above hull).
How many polymorphs of Fe2O4 are known?
55 structures of Fe2O4 are reported across 4 databases, spanning 24 distinct space groups.
How is Fe2O4 synthesized?
Literature-reported routes for Fe2O4 include solid state, sol gel (10 procedures documented).
What elements does Fe2O4 contain?
Fe2O4 contains Fe and O (2 elements).
Where does the data for Fe2O4 come from?
Fe2O4 data is cross-referenced from latticegraph.
Explore
Related Compounds
Other Conversion Oxide Anodes in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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