LiCrO2
lithium chromite · lithium chromium oxide
LiCrO2 is a stable, insulating lithium chromium oxide used primarily in fundamental materials research and solid-state studies.
About lithium chromite
LiCrO2 is a thermodynamically stable lithium oxide that exhibits wide-band-gap insulating behavior. As a member of the complex lithium-transition metal oxide family, it serves as a foundational material for understanding structural phase transitions and ionic mobility in solid-state systems. Its robust thermodynamic profile makes it a subject of significant interest in materials science databases.
Because of its structural versatility, this compound has been extensively characterized across multiple crystallographic studies. It is primarily utilized in academic and industrial research settings to explore the fundamental properties of lithium-based ceramics and their potential roles in electrochemical energy storage architectures.
Key Properties
Cross-validated computational properties for lithium chromite, 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 LiCrO2, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 3.12 | 0.0000 | -7.773 | 4.31 |
| Fd-3m (No. 227) | cubic | 3.30 | 0.0016 | -7.772 | 4.31 |
| P63mc (No. 186) | hexagonal | 2.97 | 0.0340 | -7.739 | 4.05 |
| I41/amd (No. 141) | tetragonal | 1.77 | 0.0379 | -7.735 | 4.16 |
| Fm-3m (No. 225) | cubic | 0.00 | 1.1046 | -6.668 | 4.83 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.31 |
| I41/amd (No. 141) | Tetragonal | — | — | — | 4.51 |
| I41/amd (No. 141) | Tetragonal | — | — | — | 4.16 |
| I41/amd (No. 141) | — | — | — | — | — |
| Fd-3m (No. 227) | — | — | — | — | — |
| Fd-3m (No. 227) | Cubic | — | — | — | 4.28 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.10 |
Applications
Where lithium chromite is used.
Frequently Asked Questions
Common questions about lithium chromite, answered from cross-validated data.
What is LiCrO2?
LiCrO2 is a stable, insulating lithium chromium oxide used primarily in fundamental materials research and solid-state studies.
What is LiCrO2 used for?
What is the band gap of LiCrO2?
Is LiCrO2 a metal, semiconductor, or insulator?
Is LiCrO2 thermodynamically stable?
What is the crystal structure of LiCrO2?
What is the density of LiCrO2?
How many polymorphs of LiCrO2 are known?
What elements does LiCrO2 contain?
Where does the data for LiCrO2 come from?
How It Compares
Within the lithium oxides class.
Unlike the highly conductive and widely utilized LiCoO2 or LiNiO2 that dominate commercial battery cathodes, LiCrO2 is characterized by its insulating electronic nature. While it shares the same general class of lithium-transition metal oxides, its stability and electronic structure distinguish it from the more redox-active siblings like LiMn2O4, positioning it more as a specialized structural component rather than a primary active cathode material.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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