Mn2FeO3
This compound is a mixed-metal oxide containing iron and manganese. It is primarily studied for its magnetic properties and potential utility in advanced electronic or catalytic materials.
Overview
Key Properties
Cross-validated computational properties for Mn2FeO3, 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.
0.11 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.
0.074 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
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
8
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Mn2FeO3, 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. |
|---|---|---|---|---|---|
| P2/m (No. 10) | monoclinic | 0.11 | 0.0739 | -8.715 | 5.24 |
| P2/m (No. 10) | — | — | — | — | — |
| P2/m (No. 10) | Monoclinic | — | — | — | 5.24 |
| P2/m (No. 10) | Monoclinic | — | — | — | 5.84 |
| P2/m (No. 10) | Monoclinic | — | — | — | 5.66 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.06 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.63 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.57 |
Uses
Applications
Where Mn2FeO3 is used.
Magnetic materials researchCatalysisSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about Mn2FeO3, answered from cross-validated data.
What is Mn2FeO3?
This compound is a mixed-metal oxide containing iron and manganese. It is primarily studied for its magnetic properties and potential utility in advanced electronic or catalytic materials.
More questions
What is Mn2FeO3 used for?
Mn2FeO3 is used in magnetic materials research, catalysis, and solid-state chemistry studies.
What is the band gap of Mn2FeO3?
Mn2FeO3 has a DFT-computed band gap of 0.11 eV across 8 reported structures.
Is Mn2FeO3 a metal, semiconductor, or insulator?
With a band gap up to 0.11 eV it is a semiconductor.
Is Mn2FeO3 thermodynamically stable?
Mn2FeO3 has a lowest energy above hull of 0.074 eV/atom (metastable).
What is the crystal structure of Mn2FeO3?
The lowest-energy reported polymorph of Mn2FeO3 is monoclinic symmetry, space group P2/m (No. 10).
What is the density of Mn2FeO3?
The computed density of the ground-state structure of Mn2FeO3 is 5.24 g/cm³.
How many polymorphs of Mn2FeO3 are known?
8 structures of Mn2FeO3 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Mn2FeO3 contain?
Mn2FeO3 contains Fe, Mn, and O (3 elements).
Where does the data for Mn2FeO3 come from?
Mn2FeO3 data is cross-referenced from materials_project, jarvis, mpaloe.
Explore
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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