MnFeO2
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 MnFeO2, 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.
0.57–1.32 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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
11
3 databases, 9 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for MnFeO2, 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. |
|---|---|---|---|---|---|
| Fd-3m (No. 227) | cubic | 1.00 | 0.0000 | -8.392 | 5.95 |
| P1 (No. 1) | triclinic | 0.00 | 0.0848 | -8.308 | 5.14 |
| Imma (No. 74) | orthorhombic | 0.00 | 0.1062 | -8.286 | 5.18 |
| Cmcm (No. 63) | orthorhombic | 0.57 | 0.1388 | -8.254 | 5.62 |
| P-1 (No. 2) | triclinic | 1.32 | 0.1562 | -8.236 | 5.22 |
| C2/m (No. 12) | monoclinic | 1.19 | 0.1806 | -8.212 | 5.28 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.3212 | -8.318 | 5.53 |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 6.33 |
| P1 (No. 1) | Triclinic | — | — | — | 5.27 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.22 |
Uses
Applications
Where MnFeO2 is used.
Magnetic materials researchCatalysisSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about MnFeO2, answered from cross-validated data.
What is MnFeO2?
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 MnFeO2 used for?
MnFeO2 is used in magnetic materials research, catalysis, and solid-state chemistry studies.
What is the band gap of MnFeO2?
MnFeO2 has a DFT-computed band gap of 0.57–1.32 eV across 11 reported structures.
Is MnFeO2 a metal, semiconductor, or insulator?
With a band gap up to 1.32 eV it is a semiconductor.
Is MnFeO2 thermodynamically stable?
Yes — MnFeO2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of MnFeO2?
The lowest-energy reported polymorph of MnFeO2 is cubic symmetry, space group Fd-3m (No. 227).
What is the density of MnFeO2?
The computed density of the ground-state structure of MnFeO2 is 5.95 g/cm³.
How many polymorphs of MnFeO2 are known?
11 structures of MnFeO2 are reported across 3 databases, spanning 9 distinct space groups.
What elements does MnFeO2 contain?
MnFeO2 contains Fe, Mn, and O (3 elements).
Where does the data for MnFeO2 come from?
MnFeO2 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.
Analyze MnFeO2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →