Fe2GeO4
Fe2GeO4 is a thermodynamically stable semiconducting oxide used in research for oxygen-evolution catalysis.
About Fe2GeO4
Fe2GeO4 is a semiconducting oxide that sits firmly on the thermodynamic convex hull, indicating high structural stability. As a member of the oxide oxygen-evolution catalyst family, it serves as a critical candidate for electrochemical energy conversion processes where stable, efficient materials are required to drive oxygen production.
Its electronic character makes it an intriguing subject for research into charge transfer mechanisms during catalysis. By balancing iron and germanium cations within an oxygen framework, this compound provides a robust platform for investigating the fundamental surface interactions necessary for sustainable water splitting technologies.
Key Properties
Cross-validated computational properties for Fe2GeO4, aggregated across 4 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 Fe2GeO4. 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 Fe2GeO4, 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 | 1.72 | 0.0000 | -7.739 | 5.60 |
| — | — | 1.34 | 0.0003 | -1.791 | — |
| — | — | 1.48 | 0.0010 | -1.791 | — |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0567 | -1.396 | — |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0597 | -1.393 | — |
| Fd-3m (No. 227) | cubic | — | — | — | 5.54 |
| Fd-3m (No. 227) | cubic | — | — | — | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting Fe2GeO4.
Applications
Where Fe2GeO4 is used.
Frequently Asked Questions
Common questions about Fe2GeO4, answered from cross-validated data.
What is Fe2GeO4?
Fe2GeO4 is a thermodynamically stable semiconducting oxide used in research for oxygen-evolution catalysis.
What is Fe2GeO4 used for?
What is the band gap of Fe2GeO4?
Is Fe2GeO4 a metal, semiconductor, or insulator?
Is Fe2GeO4 thermodynamically stable?
What is the crystal structure of Fe2GeO4?
What is the density of Fe2GeO4?
How many polymorphs of Fe2GeO4 are known?
How is Fe2GeO4 synthesized?
What elements does Fe2GeO4 contain?
Where does the data for Fe2GeO4 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse class of oxygen-evolution catalysts, Fe2GeO4 distinguishes itself from more traditional transition metal oxides like NiO or complex layered structures such as LiCoO2. While many of its siblings are heavily utilized in commercial battery cathodes, Fe2GeO4 is primarily investigated for its catalytic potential, offering a distinct structural alternative to perovskite-based materials like LaMnO3 or BiFeO3.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts 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)
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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