Sr2FeMoO6
Sr2FeMoO6 is a stable, semiconducting double perovskite oxide used in advanced magnetic and spintronic research.
About Sr2FeMoO6
Sr2FeMoO6 is a complex double perovskite oxide that falls within the broader category of ferrite-based materials. As a thermodynamically stable compound, it maintains a robust structural integrity that makes it a subject of significant interest for researchers investigating electronic and magnetic phenomena in transition metal oxides.
Its semiconducting nature allows for unique charge transport behaviors, distinguishing it from purely insulating or metallic ferrites. This material is primarily utilized in studies concerning spintronics and magnetic sensing, where its distinct electronic character can be leveraged for next-generation device architectures.
Key Properties
Cross-validated computational properties for Sr2FeMoO6, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Sr2FeMoO6. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Sr2FeMoO6, 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 | 0.61 | 0.0000 | -7.771 | 5.46 |
| P2/c (No. 13) | monoclinic | 0.73 | 0.0002 | -7.771 | 5.48 |
| Fm-3m (No. 225) | cubic | 1.98 | 0.0007 | -7.771 | 5.47 |
| I4/m (No. 87) | tetragonal | 1.28 | 0.0011 | -7.770 | 5.48 |
| P2 (No. 3) | monoclinic | 0.38 | 0.0025 | -7.769 | 5.45 |
| Fm-3m (No. 225) | cubic | 0.41 | 0.0102 | -2.549 | — |
| Fm-3m (No. 225) | cubic | 0.41 | 0.0102 | -2.549 | — |
| Fm-3m (No. 225) | cubic | 0.41 | 0.0102 | -2.549 | — |
| I4/m (No. 87) | tetragonal | 0.41 | 0.0102 | -2.549 | — |
| I4/m (No. 87) | tetragonal | 0.41 | 0.0102 | -2.549 | — |
| Fm-3m (No. 225) | cubic | 0.41 | 0.0102 | -2.549 | — |
| Fm-3m (No. 225) | cubic | 0.41 | 0.0102 | -2.549 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting Sr2FeMoO6.
Applications
Where Sr2FeMoO6 is used.
Frequently Asked Questions
Common questions about Sr2FeMoO6, answered from cross-validated data.
What is Sr2FeMoO6?
Sr2FeMoO6 is a stable, semiconducting double perovskite oxide used in advanced magnetic and spintronic research.
What is Sr2FeMoO6 used for?
What is the band gap of Sr2FeMoO6?
Is Sr2FeMoO6 a metal, semiconductor, or insulator?
Is Sr2FeMoO6 thermodynamically stable?
What is the crystal structure of Sr2FeMoO6?
What is the density of Sr2FeMoO6?
How many polymorphs of Sr2FeMoO6 are known?
How is Sr2FeMoO6 synthesized?
What elements does Sr2FeMoO6 contain?
Where does the data for Sr2FeMoO6 come from?
How It Compares
Within the spinel and hexagonal ferrites class.
Within the diverse family of ferrites, Sr2FeMoO6 occupies a specialized niche compared to simpler spinel structures like MgFe2O4 or ZnFe2O4. While those spinels are widely recognized for their conventional magnetic properties, Sr2FeMoO6 offers a more complex electronic landscape, standing apart from perovskite-related oxides like SrFeO3 due to its specific molybdenum-iron ordering that influences its semiconducting behavior.
Related Compounds
Other Spinel and Hexagonal Ferrites in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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