LiCoCO4
LiCoCO4 is a metastable semiconducting lithium transition-metal oxide used in fundamental materials science research for battery development.
About LiCoCO4
LiCoCO4 is a semiconducting member of the layered lithium transition-metal oxide family. As a metastable phase, it represents a unique structural configuration within the broader landscape of lithium-based inorganic compounds, attracting interest for its potential electrochemical behavior.
This material is primarily studied within the context of advanced energy storage research. Its electronic character and structural complexity make it a subject of investigation for those seeking to understand the stability and performance limits of transition-metal oxide frameworks in battery applications.
Key Properties
Cross-validated computational properties for LiCoCO4, 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 LiCoCO4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.86 | 0.0779 | -7.154 | 3.45 |
| P21/c (No. 14) | monoclinic | 0.96 | 0.1021 | -7.129 | 2.59 |
| Ccc2 (No. 37) | orthorhombic | 0.82 | 0.1029 | -7.129 | 2.72 |
| Ccc2 (No. 37) | Orthorhombic | — | — | — | 2.72 |
| Ccc2 (No. 37) | Orthorhombic | — | — | — | 2.86 |
| Ccc2 (No. 37) | Orthorhombic | — | — | — | 2.77 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.96 |
| P21/c (No. 14) | — | — | — | — | — |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.45 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.75 |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where LiCoCO4 is used.
Frequently Asked Questions
Common questions about LiCoCO4, answered from cross-validated data.
What is LiCoCO4?
LiCoCO4 is a metastable semiconducting lithium transition-metal oxide used in fundamental materials science research for battery development.
What is LiCoCO4 used for?
What is the band gap of LiCoCO4?
Is LiCoCO4 a metal, semiconductor, or insulator?
Is LiCoCO4 thermodynamically stable?
What is the crystal structure of LiCoCO4?
What is the density of LiCoCO4?
How many polymorphs of LiCoCO4 are known?
What elements does LiCoCO4 contain?
Where does the data for LiCoCO4 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the class of layered lithium transition-metal oxides, LiCoCO4 occupies a distinct position compared to the widely utilized LiCoO2. While LiCoO2 serves as a foundational cathode material due to its high stability and well-understood layered structure, LiCoCO4 exists as a metastable variant, offering a different structural perspective on how lithium and cobalt can coordinate with oxygen and carbon frameworks.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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