Mg3Fe2O5
This compound is a complex oxide containing magnesium and iron. It is primarily studied for its structural properties and potential roles in advanced materials research, particularly in the fields of ceramics and solid-state chemistry.
Overview
Key Properties
Cross-validated computational properties for Mg3Fe2O5, 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.
2.41 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.
0.017 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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
6
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Mg3Fe2O5, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 0.00 | 0.0167 | -7.069 | 4.65 |
| C2/m (No. 12) | monoclinic | 2.41 | 0.0182 | -7.067 | 4.61 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.38 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.74 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.64 |
| C2/m (No. 12) | — | — | — | — | — |
Uses
Applications
Where Mg3Fe2O5 is used.
Materials science researchCeramic developmentSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about Mg3Fe2O5, answered from cross-validated data.
What is Mg3Fe2O5?
This compound is a complex oxide containing magnesium and iron. It is primarily studied for its structural properties and potential roles in advanced materials research, particularly in the fields of ceramics and solid-state chemistry.
What is Mg3Fe2O5 used for?
Mg3Fe2O5 is used in materials science research, ceramic development, and solid-state chemistry studies.
What is the band gap of Mg3Fe2O5?
Mg3Fe2O5 has a DFT-computed band gap of 2.41 eV across 6 reported structures.
Is Mg3Fe2O5 a metal, semiconductor, or insulator?
With a band gap up to 2.41 eV it is a semiconductor.
Is Mg3Fe2O5 thermodynamically stable?
Mg3Fe2O5 has a lowest energy above hull of 0.017 eV/atom (near hull (likely stable)).
What is the crystal structure of Mg3Fe2O5?
The lowest-energy reported polymorph of Mg3Fe2O5 is triclinic symmetry, space group P-1 (No. 2).
What is the density of Mg3Fe2O5?
The computed density of the ground-state structure of Mg3Fe2O5 is 4.65 g/cm³.
How many polymorphs of Mg3Fe2O5 are known?
6 structures of Mg3Fe2O5 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Mg3Fe2O5 contain?
Mg3Fe2O5 contains Fe, Mg, and O (3 elements).
Where does the data for Mg3Fe2O5 come from?
Mg3Fe2O5 data is cross-referenced from materials_project, mpaloe, jarvis.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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