LiFeCoO4
LiFeCoO4 is a metastable, semiconducting layered lithium transition-metal oxide used in materials research for potential electrochemical applications.
About LiFeCoO4
LiFeCoO4 belongs to the class of layered lithium transition-metal oxides, a group of materials widely investigated for their electrochemical properties. As a semiconducting oxide, it represents a complex arrangement of lithium, iron, cobalt, and oxygen atoms that offers unique pathways for ion mobility and electronic charge transport.
This compound is characterized as metastable, reflecting the delicate balance of its crystal structure under standard conditions. Its existence within multiple structural databases highlights its significance in ongoing materials discovery efforts aimed at optimizing electrode performance for next-generation battery technologies.
Key Properties
Cross-validated computational properties for LiFeCoO4, 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 LiFeCoO4, 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. |
|---|---|---|---|---|---|
| Imma (No. 74) | orthorhombic | 0.72 | 0.0444 | -6.905 | 4.34 |
| Imma (No. 74) | orthorhombic | 0.04 | 0.0519 | -6.898 | 4.36 |
| P4322 (No. 95) | tetragonal | 0.00 | 0.0912 | -6.858 | 4.43 |
| P4322 (No. 95) | — | — | — | — | — |
| Imma (No. 74) | — | — | — | — | — |
| Imma (No. 74) | — | — | — | — | — |
| P4322 (No. 95) | Tetragonal | — | — | — | 4.96 |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.34 |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.53 |
| P4322 (No. 95) | Tetragonal | — | — | — | 4.43 |
| P4322 (No. 95) | Tetragonal | — | — | — | 4.75 |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.67 |
Applications
Where LiFeCoO4 is used.
Frequently Asked Questions
Common questions about LiFeCoO4, answered from cross-validated data.
What is LiFeCoO4?
LiFeCoO4 is a metastable, semiconducting layered lithium transition-metal oxide used in materials research for potential electrochemical applications.
What is LiFeCoO4 used for?
What is the band gap of LiFeCoO4?
Is LiFeCoO4 a metal, semiconductor, or insulator?
Is LiFeCoO4 thermodynamically stable?
What is the crystal structure of LiFeCoO4?
What is the density of LiFeCoO4?
How many polymorphs of LiFeCoO4 are known?
What elements does LiFeCoO4 contain?
Where does the data for LiFeCoO4 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the broader family of layered lithium transition-metal oxides, LiFeCoO4 occupies a distinct position compared to more established, commercially utilized members like LiCoO2 or LiMn2O4. While those materials are recognized for their robust structural stability and widespread application in consumer electronics, LiFeCoO4 represents a more specialized, metastable phase that provides researchers with insights into the structural versatility of mixed-metal oxide systems.
Related Compounds
Other Layered Lithium Transition-Metal Oxides 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).
- mpaloe — Data from mpaloe.
Analyze LiFeCoO4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →