LiCr2O3
LiCr2O3 is a metastable, semiconducting lithium oxide compound characterized by a diverse range of structural possibilities.
About LiCr2O3
LiCr2O3 is a semiconducting lithium oxide that exists in a metastable state. Its complex structural landscape is highlighted by multiple reported configurations across various databases, reflecting the intricate interplay between lithium and chromium cations within an oxygen framework. This material serves as a subject of interest for researchers investigating non-equilibrium oxide phases and their electronic properties. Its unique bonding environment makes it a compelling candidate for fundamental studies in solid-state chemistry and materials science, where the stability of lithium-rich oxides is a primary focus. By understanding its metastable nature, scientists can better predict the behavior of similar transition metal oxides under diverse synthetic conditions.
Key Properties
Cross-validated computational properties for LiCr2O3, 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 LiCr2O3, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 1.66 | 0.0755 | -8.197 | 4.47 |
| C2/c (No. 15) | monoclinic | 0.86 | 0.0786 | -8.194 | 4.41 |
| C2 (No. 5) | monoclinic | 1.35 | 0.0896 | -8.183 | 4.47 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.1001 | -8.173 | 4.51 |
| C2/c (No. 15) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 4.67 |
| P1 (No. 1) | Triclinic | — | — | — | 4.47 |
| P1 (No. 1) | Triclinic | — | — | — | 4.79 |
Applications
Where LiCr2O3 is used.
Frequently Asked Questions
Common questions about LiCr2O3, answered from cross-validated data.
What is LiCr2O3?
LiCr2O3 is a metastable, semiconducting lithium oxide compound characterized by a diverse range of structural possibilities.
What is LiCr2O3 used for?
What is the band gap of LiCr2O3?
Is LiCr2O3 a metal, semiconductor, or insulator?
Is LiCr2O3 thermodynamically stable?
What is the crystal structure of LiCr2O3?
What is the density of LiCr2O3?
How many polymorphs of LiCr2O3 are known?
What elements does LiCr2O3 contain?
Where does the data for LiCr2O3 come from?
How It Compares
Within the lithium oxides class.
Unlike the highly stable and commercially ubiquitous LiCoO2 or LiMn2O4, which are staples in battery technology, LiCr2O3 occupies a more specialized niche due to its metastable character. While siblings like Li2TiO3 and Li2MnO3 are frequently studied for their structural robustness in electrochemical applications, LiCr2O3 offers a different perspective on the stability limits of lithium-transition metal oxides, serving as a critical point of comparison for phase transformation studies.
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.
Analyze LiCr2O3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →