Li7Fe5O12
Li7Fe5O12 is a semimetallic lithium-iron oxide being studied as a potential catalyst for oxygen-evolution reactions in electrochemical energy systems.
About Li7Fe5O12
Li7Fe5O12 is a complex lithium-iron oxide that functions within the class of oxygen-evolution catalysts. Characterized by a semimetallic electronic structure, this material offers unique charge-transport properties that are essential for facilitating efficient electrochemical reactions at the electrode interface. Its thermodynamic profile suggests it is near the stability hull, indicating that it is a viable target for experimental synthesis and structural characterization. Given the multiple reported structures associated with this composition, it remains a subject of significant interest for materials scientists exploring new catalytic pathways. This compound is primarily investigated for its potential role in energy conversion technologies where efficient oxygen evolution is a critical bottleneck. By leveraging its specific electronic character, researchers aim to optimize catalytic activity for sustainable energy applications.
Key Properties
Cross-validated computational properties for Li7Fe5O12, 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 Li7Fe5O12, 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. |
|---|---|---|---|---|---|
| C2 (No. 5) | monoclinic | 0.05 | 0.0156 | -6.691 | 4.21 |
| C2 (No. 5) | monoclinic | 0.00 | 0.0308 | -6.676 | 3.88 |
| C2 (No. 5) | Monoclinic | — | — | — | 3.88 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.32 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.23 |
| C2 (No. 5) | — | — | — | — | — |
| C2 (No. 5) | Monoclinic | — | — | — | 3.93 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.26 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.15 |
Applications
Where Li7Fe5O12 is used.
Frequently Asked Questions
Common questions about Li7Fe5O12, answered from cross-validated data.
What is Li7Fe5O12?
Li7Fe5O12 is a semimetallic lithium-iron oxide being studied as a potential catalyst for oxygen-evolution reactions in electrochemical energy systems.
What is Li7Fe5O12 used for?
What is the band gap of Li7Fe5O12?
Is Li7Fe5O12 a metal, semiconductor, or insulator?
Is Li7Fe5O12 thermodynamically stable?
What is the crystal structure of Li7Fe5O12?
What is the density of Li7Fe5O12?
How many polymorphs of Li7Fe5O12 are known?
What elements does Li7Fe5O12 contain?
Where does the data for Li7Fe5O12 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse family of oxide oxygen-evolution catalysts, Li7Fe5O12 occupies a distinct niche compared to more conventional layered oxides like LiCoO2 or LiNiO2. While many of its class members, such as LaMnO3 or BiFeO3, are well-established perovskite-based catalysts, Li7Fe5O12 offers a different structural complexity and electronic signature. Its semimetallic nature provides a different approach to conductivity compared to the insulating or semiconducting behavior often found in traditional transition metal oxides, positioning it as a unique alternative for specialized electrochemical systems.
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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