Li3Cr4O8
Li3Cr4O8 is a metastable semiconducting oxide composed of lithium, chromium, and oxygen.
About Li3Cr4O8
Li3Cr4O8 is a semiconducting lithium oxide that exists in a metastable state. Its complex structural chemistry is highlighted by its presence in multiple reported crystallographic configurations, reflecting the diverse ways lithium, chromium, and oxygen can arrange to form functional inorganic frameworks.
As a member of the lithium oxide class, this compound serves as a subject of interest for researchers investigating transition metal oxides with potential electrochemical activity. Its electronic properties and structural flexibility make it a notable candidate for studies focused on ion transport and solid-state chemistry.
Key Properties
Cross-validated computational properties for Li3Cr4O8, 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 Li3Cr4O8, 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 | 0.75 | 0.0337 | -7.911 | 4.01 |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | Trigonal | — | — | — | 4.37 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.01 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.19 |
Applications
Where Li3Cr4O8 is used.
Frequently Asked Questions
Common questions about Li3Cr4O8, answered from cross-validated data.
What is Li3Cr4O8?
Li3Cr4O8 is a metastable semiconducting oxide composed of lithium, chromium, and oxygen.
What is Li3Cr4O8 used for?
What is the band gap of Li3Cr4O8?
Is Li3Cr4O8 a metal, semiconductor, or insulator?
Is Li3Cr4O8 thermodynamically stable?
What is the crystal structure of Li3Cr4O8?
What is the density of Li3Cr4O8?
How many polymorphs of Li3Cr4O8 are known?
What elements does Li3Cr4O8 contain?
Where does the data for Li3Cr4O8 come from?
How It Compares
Within the lithium oxides class.
Unlike the highly stable and commercially ubiquitous LiCoO2 or LiMn2O4, which are cornerstones of battery technology, Li3Cr4O8 is characterized by its metastable nature. While siblings like Li2TiO3 or Li4SiO4 are often explored for their structural robustness or specific dielectric properties, Li3Cr4O8 occupies a more specialized niche, offering a distinct electronic profile compared to the more conventional lithium-based oxides in this group.
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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