Li4CrO5
Li4CrO5 is a semiconducting lithium oxide compound that is considered a promising candidate for experimental synthesis in energy storage research.
About Li4CrO5
Li4CrO5 is a lithium-rich oxide that exhibits semiconducting electronic behavior. Its position near the thermodynamic hull suggests it is a viable target for experimental synthesis and structural characterization within the broader family of lithium-based materials.
This compound is of significant interest to researchers investigating novel cathode architectures and solid-state electrolytes. Its complex structural landscape, evidenced by multiple reported configurations, highlights its potential utility in high-performance electrochemical systems.
Key Properties
Cross-validated computational properties for Li4CrO5, 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 Li4CrO5, 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 | 1.43 | 0.0207 | -6.262 | 2.65 |
| P-1 (No. 2) | triclinic | 1.39 | 0.0511 | -6.232 | 2.98 |
| P-1 (No. 2) | triclinic | 1.30 | 0.0594 | -6.224 | 3.07 |
| P-1 (No. 2) | triclinic | 0.00 | 1.2613 | -5.022 | 3.07 |
| P-1 (No. 2) | triclinic | 0.00 | 2.3550 | -3.928 | 2.98 |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.65 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.82 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.73 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.07 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.24 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.15 |
Applications
Where Li4CrO5 is used.
Frequently Asked Questions
Common questions about Li4CrO5, answered from cross-validated data.
What is Li4CrO5?
Li4CrO5 is a semiconducting lithium oxide compound that is considered a promising candidate for experimental synthesis in energy storage research.
What is Li4CrO5 used for?
What is the band gap of Li4CrO5?
Is Li4CrO5 a metal, semiconductor, or insulator?
Is Li4CrO5 thermodynamically stable?
What is the crystal structure of Li4CrO5?
What is the density of Li4CrO5?
How many polymorphs of Li4CrO5 are known?
What elements does Li4CrO5 contain?
Where does the data for Li4CrO5 come from?
How It Compares
Within the lithium oxides class.
Unlike the widely commercialized LiCoO2 or LiMn2O4, which are staple cathode materials, Li4CrO5 occupies a more specialized niche within the lithium oxide class. While Li2O serves as a fundamental binary oxide, Li4CrO5 represents a more complex ternary arrangement that offers unique structural pathways for ion mobility compared to simpler oxides like Li2TiO3.
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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