Li3Cr5O8
Li3Cr5O8 is a metastable semiconducting lithium oxide being investigated for its potential role in electrochemical energy storage technologies.
About Li3Cr5O8
Li3Cr5O8 is a complex lithium oxide characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique structural configuration within the broader family of lithium-based ternary oxides, offering distinct pathways for ion mobility and electronic transport.
Its significance lies in its potential utility for specialized electrochemical applications where specific redox-active transition metal centers are required. The material is subject to ongoing research to better understand its structural stability and performance characteristics in solid-state systems.
Key Properties
Cross-validated computational properties for Li3Cr5O8, 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 Li3Cr5O8, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 0.74 | 0.0681 | -8.080 | 4.28 |
| C2/m (No. 12) | monoclinic | 0.57 | 0.0697 | -8.078 | 4.29 |
| R-3m (No. 166) | trigonal | 0.00 | 0.1145 | -8.033 | 4.40 |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | Trigonal | — | — | — | 4.40 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.76 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.63 |
Applications
Where Li3Cr5O8 is used.
Frequently Asked Questions
Common questions about Li3Cr5O8, answered from cross-validated data.
What is Li3Cr5O8?
Li3Cr5O8 is a metastable semiconducting lithium oxide being investigated for its potential role in electrochemical energy storage technologies.
What is Li3Cr5O8 used for?
What is the band gap of Li3Cr5O8?
Is Li3Cr5O8 a metal, semiconductor, or insulator?
Is Li3Cr5O8 thermodynamically stable?
What is the crystal structure of Li3Cr5O8?
What is the density of Li3Cr5O8?
How many polymorphs of Li3Cr5O8 are known?
What elements does Li3Cr5O8 contain?
Where does the data for Li3Cr5O8 come from?
How It Compares
Within the lithium oxides class.
Unlike the highly stable and widely commercialized cathode materials such as LiCoO2 or LiMn2O4, Li3Cr5O8 exists as a metastable phase. While siblings like Li2O serve as fundamental building blocks in lithium-ion chemistry, this compound occupies a more niche position, requiring careful synthesis to manage its structural evolution compared to the robust, well-characterized LiNiO2.
Related Compounds
Other Lithium 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.
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