Fe1O3Se1
Fe1O3Se1 has a DFT band gap of 0.32–0.68 eV across 6 reported structures in 4 space groups. Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Fe1O3Se1, aggregated across 3 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.
0.32–0.68 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.
0.083 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.
Metastable
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
6
3 databases, 4 space groups
Reference
Frequently Asked Questions
Common questions about Fe1O3Se1, answered from cross-validated data.
What is the band gap of Fe1O3Se1?
Fe1O3Se1 has a DFT-computed band gap of 0.32–0.68 eV across 6 reported structures.
More questions
Is Fe1O3Se1 a metal, semiconductor, or insulator?
With a band gap up to 0.68 eV it is a semiconductor.
Is Fe1O3Se1 thermodynamically stable?
Fe1O3Se1 has a lowest energy above hull of 0.083 eV/atom (metastable).
How many polymorphs of Fe1O3Se1 are known?
6 structures of Fe1O3Se1 are reported across 3 databases, spanning 4 distinct space groups.
What elements does Fe1O3Se1 contain?
Fe1O3Se1 contains Fe, O, and Se (3 elements).
Where does the data for Fe1O3Se1 come from?
Fe1O3Se1 data is cross-referenced from latticegraph.
Explore
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
Analyze Fe1O3Se1 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →