Li3Fe3O8
Li3Fe3O8 is a metastable semiconducting oxide being explored as a potential catalyst for oxygen-evolution reactions in electrochemical systems.
About Li3Fe3O8
Li3Fe3O8 is a semiconducting oxide that functions within the broader category of oxygen-evolution catalysts. As a metastable material, it represents a complex structural arrangement of lithium, iron, and oxygen, offering unique pathways for electrochemical surface reactions.
Its significance lies in the ongoing search for efficient, earth-abundant materials capable of facilitating the oxygen-evolution reaction. By leveraging its semiconducting electronic character, researchers study this compound to understand how transition metal oxides can be optimized for sustainable energy conversion technologies.
Key Properties
Cross-validated computational properties for Li3Fe3O8, aggregated across 2 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 Li3Fe3O8, 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/c (No. 15) | monoclinic | 0.17 | 0.0688 | -6.656 | 3.65 |
| C2/m (No. 12) | monoclinic | 0.10 | 0.0690 | -6.656 | 3.66 |
| C2/c (No. 15) | monoclinic | 0.21 | 0.0701 | -6.655 | 3.65 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0739 | -6.651 | 3.66 |
| Cc (No. 9) | monoclinic | 0.05 | 0.1070 | -6.618 | 3.59 |
| P63mc (No. 186) | hexagonal | 0.00 | 0.1091 | -6.616 | 3.56 |
| Imm2 (No. 44) | orthorhombic | 0.00 | 0.1501 | -6.575 | 3.68 |
| R-3m (No. 166) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P63mc (No. 186) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
Applications
Where Li3Fe3O8 is used.
Frequently Asked Questions
Common questions about Li3Fe3O8, answered from cross-validated data.
What is Li3Fe3O8?
Li3Fe3O8 is a metastable semiconducting oxide being explored as a potential catalyst for oxygen-evolution reactions in electrochemical systems.
What is Li3Fe3O8 used for?
What is the band gap of Li3Fe3O8?
Is Li3Fe3O8 a metal, semiconductor, or insulator?
Is Li3Fe3O8 thermodynamically stable?
What is the crystal structure of Li3Fe3O8?
What is the density of Li3Fe3O8?
How many polymorphs of Li3Fe3O8 are known?
What elements does Li3Fe3O8 contain?
Where does the data for Li3Fe3O8 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse landscape of oxygen-evolution catalysts, Li3Fe3O8 occupies a distinct niche compared to more conventional battery-related oxides like LiCoO2 or LiMn2O4. While materials such as LaMnO3 or BiFeO3 are frequently highlighted for their perovskite-based catalytic activity, Li3Fe3O8 serves as an intriguing alternative, providing a different structural framework that challenges the stability and performance benchmarks set by established nickel and cobalt-based 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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
Analyze Li3Fe3O8 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →