LiCr2O4
LiCr2O4 is a semiconducting lithium oxide compound known for its structural diversity and potential for synthesis in laboratory settings.
About LiCr2O4
LiCr2O4 is a semiconducting member of the lithium oxide family that exhibits structural characteristics suggesting it is a viable candidate for synthesis. Its position near the thermodynamic hull highlights its potential for stability in various chemical environments, making it a subject of interest for researchers investigating new oxide frameworks. The material is characterized by a significant number of reported structural variations across databases, reflecting its complex coordination chemistry. This structural diversity is a key factor in its utility for exploring fundamental electronic behaviors within transition metal-based oxide systems.
Key Properties
Cross-validated computational properties for LiCr2O4, 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 LiCr2O4, 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 | 0.63 | 0.0235 | -8.116 | 3.95 |
| P4322 (No. 95) | tetragonal | 0.76 | 0.0270 | -8.113 | 3.94 |
| Cc (No. 9) | monoclinic | 0.43 | 0.0382 | -8.102 | 4.09 |
| Pnma (No. 62) | orthorhombic | 0.15 | 0.0529 | -8.087 | 4.24 |
| P63mc (No. 186) | hexagonal | 0.00 | 0.0617 | -8.078 | 4.28 |
| P2/m (No. 10) | monoclinic | 0.61 | 0.0805 | -8.059 | 3.91 |
| P2/c (No. 13) | monoclinic | 1.01 | 0.0821 | -8.058 | 3.91 |
| Imma (No. 74) | orthorhombic | 0.73 | 0.0887 | -8.051 | 3.92 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.1075 | -8.032 | 3.89 |
| Imma (No. 74) | orthorhombic | 0.92 | 0.1142 | -8.026 | 4.07 |
| P-4 (No. 81) | tetragonal | 0.00 | 0.1896 | -7.950 | 4.34 |
| Amm2 (No. 38) | orthorhombic | 0.08 | 0.2426 | -7.897 | 3.91 |
Applications
Where LiCr2O4 is used.
Frequently Asked Questions
Common questions about LiCr2O4, answered from cross-validated data.
What is LiCr2O4?
LiCr2O4 is a semiconducting lithium oxide compound known for its structural diversity and potential for synthesis in laboratory settings.
What is LiCr2O4 used for?
What is the band gap of LiCr2O4?
Is LiCr2O4 a metal, semiconductor, or insulator?
Is LiCr2O4 thermodynamically stable?
What is the crystal structure of LiCr2O4?
What is the density of LiCr2O4?
How many polymorphs of LiCr2O4 are known?
What elements does LiCr2O4 contain?
Where does the data for LiCr2O4 come from?
How It Compares
Within the lithium oxides class.
Unlike the widely commercialized LiCoO2 or LiMn2O4, which are staples in battery cathode technology, LiCr2O4 occupies a more exploratory niche within the lithium oxide class. While siblings like Li2O serve as fundamental precursors or electrolytes, LiCr2O4 is primarily studied for its unique electronic properties and structural flexibility rather than immediate large-scale industrial deployment.
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.
Analyze LiCr2O4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →