FeO3
Iron trioxide is an unstable oxide of iron that has been identified in laboratory settings under specific conditions. It is primarily studied for its role in high-pressure chemistry and its potential existence in extreme environments.
Key Properties
Cross-validated computational properties for FeO3, 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for FeO3, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.31 | 0.5404 | -6.355 | 2.81 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.30 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 4.67 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 5.90 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 4.31 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 5.02 |
| P1 (No. 1) | Triclinic | — | — | — | 1.69 |
| P1 (No. 1) | Triclinic | — | — | — | 1.79 |
| P1 (No. 1) | Triclinic | — | — | — | 2.12 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 2.35 |
| Pm (No. 6) | Monoclinic | — | — | — | 3.07 |
| Pm (No. 6) | Monoclinic | — | — | — | 4.05 |
Applications
Where FeO3 is used.
Frequently Asked Questions
Common questions about FeO3, answered from cross-validated data.
What is FeO3?
Iron trioxide is an unstable oxide of iron that has been identified in laboratory settings under specific conditions. It is primarily studied for its role in high-pressure chemistry and its potential existence in extreme environments.
What is FeO3 used for?
What is the band gap of FeO3?
Is FeO3 a metal, semiconductor, or insulator?
Is FeO3 thermodynamically stable?
What is the crystal structure of FeO3?
What is the density of FeO3?
How many polymorphs of FeO3 are known?
What elements does FeO3 contain?
Where does the data for FeO3 come from?
Related Compounds
Other Conversion Oxide Anodes 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.
Analyze FeO3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →