Li2CrO3
Li2CrO3 is a semiconducting lithium-chromium oxide that is considered a promising, synthesizable material for advanced electrochemical research.
About Li2CrO3
Li2CrO3 is a semiconducting lithium oxide that occupies a position near the thermodynamic stability hull, suggesting it is a viable candidate for experimental synthesis. Its structural characteristics make it a subject of significant interest for researchers investigating complex transition metal oxides in energy storage systems. With numerous reported structures across major materials databases, it represents a well-documented phase in the lithium-chromium-oxygen ternary system. Its electronic nature and structural versatility provide a foundation for exploring ion transport and redox behavior in solid-state materials. This compound is primarily utilized in academic and industrial research settings focused on developing next-generation electrode materials for lithium-ion batteries.
Key Properties
Cross-validated computational properties for Li2CrO3, 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 Li2CrO3, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 1.78 | 0.0073 | -6.968 | 3.21 |
| C2/m (No. 12) | monoclinic | 1.27 | 0.0198 | -6.956 | 3.80 |
| C2/c (No. 15) | monoclinic | 0.53 | 0.0217 | -6.954 | 3.57 |
| P-1 (No. 2) | triclinic | 1.08 | 0.0440 | -6.931 | 3.57 |
| C2 (No. 5) | monoclinic | 0.76 | 0.0440 | -6.931 | 3.57 |
| C2/m (No. 12) | monoclinic | 0.52 | 0.0521 | -6.923 | 3.56 |
| Cc (No. 9) | monoclinic | 0.96 | 0.0537 | -6.922 | 3.65 |
| Cmc21 (No. 36) | orthorhombic | 1.47 | 0.0718 | -6.904 | 2.81 |
| Pnna (No. 52) | orthorhombic | 0.70 | 0.1020 | -6.873 | 3.66 |
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.1028 | -6.873 | 3.43 |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.25 |
Applications
Where Li2CrO3 is used.
Frequently Asked Questions
Common questions about Li2CrO3, answered from cross-validated data.
What is Li2CrO3?
Li2CrO3 is a semiconducting lithium-chromium oxide that is considered a promising, synthesizable material for advanced electrochemical research.
What is Li2CrO3 used for?
What is the band gap of Li2CrO3?
Is Li2CrO3 a metal, semiconductor, or insulator?
Is Li2CrO3 thermodynamically stable?
What is the crystal structure of Li2CrO3?
What is the density of Li2CrO3?
How many polymorphs of Li2CrO3 are known?
What elements does Li2CrO3 contain?
Where does the data for Li2CrO3 come from?
How It Compares
Within the lithium oxides class.
Within the diverse class of lithium oxides, Li2CrO3 shares structural and electronic parallels with compounds like Li2MnO3 and Li2TiO3. While LiCoO2 and LiNiO2 are widely deployed as commercial cathode materials due to their proven electrochemical performance, Li2CrO3 remains a specialized subject of study, offering a distinct transition metal environment that contrasts with the more common manganese or cobalt-based systems.
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 Li2CrO3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →