MgFePO5
MgFePO5 is a metastable, semiconducting phosphate compound that serves as a specialized structural variant within the broader class of ferrite-related materials.
About MgFePO5
MgFePO5 is a complex phosphate compound that occupies a unique position within the broader family of ferrite-related materials. Characterized by its semiconducting electronic nature, this compound represents a specialized phase that bridges the gap between conventional oxide ferrites and phosphate-based frameworks.
As a metastable material, it offers intriguing possibilities for synthesis and structural manipulation. Its existence across multiple reported structures highlights its chemical flexibility, making it a subject of interest for researchers investigating non-equilibrium phase transformations and potential functional applications in electronic devices.
Key Properties
Cross-validated computational properties for MgFePO5, 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 MgFePO5, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 1.86 | 0.0853 | -7.547 | 3.46 |
| P1 (No. 1) | Triclinic | — | — | — | 3.46 |
| Cc (No. 9) | Monoclinic | — | — | — | 3.69 |
| Cc (No. 9) | Monoclinic | — | — | — | 3.54 |
| P1 (No. 1) | — | — | — | — | — |
Applications
Where MgFePO5 is used.
Frequently Asked Questions
Common questions about MgFePO5, answered from cross-validated data.
What is MgFePO5?
MgFePO5 is a metastable, semiconducting phosphate compound that serves as a specialized structural variant within the broader class of ferrite-related materials.
What is MgFePO5 used for?
What is the band gap of MgFePO5?
Is MgFePO5 a metal, semiconductor, or insulator?
Is MgFePO5 thermodynamically stable?
What is the crystal structure of MgFePO5?
What is the density of MgFePO5?
How many polymorphs of MgFePO5 are known?
What elements does MgFePO5 contain?
Where does the data for MgFePO5 come from?
How It Compares
Within the spinel and hexagonal ferrites class.
Unlike the highly stable and widely utilized spinel ferrites such as MgFe2O4 and ZnFe2O4, MgFePO5 exhibits a distinct metastable character that sets it apart from these classic magnetic oxides. While materials like SrFeO3 and BaFeO3 are often studied for their perovskite-derived properties, MgFePO5 incorporates phosphorus into its lattice, leading to a different structural motif that challenges the traditional ferrite paradigm.
Related Compounds
Other Spinel and Hexagonal Ferrites 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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