Li4CrO4
Li4CrO4 is a semiconducting lithium oxide that is considered a promising candidate for synthesis and further investigation in materials science.
About Li4CrO4
Li4CrO4 is a semiconducting member of the lithium oxide family. Its status as a near-hull material suggests it is thermodynamically favorable enough to be a viable candidate for experimental synthesis and structural characterization.
This compound represents an intriguing intersection of lithium-rich chemistry and transition metal oxides. By leveraging its electronic properties, researchers investigate its potential utility in advanced electrochemical systems where lithium-ion mobility and structural stability are critical.
Key Properties
Cross-validated computational properties for Li4CrO4, 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 Li4CrO4, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 1.78 | 0.0132 | -6.298 | 2.78 |
| P-1 (No. 2) | triclinic | 2.09 | 0.0178 | -6.294 | 2.74 |
| Cmcm (No. 63) | — | — | — | — | — |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 2.73 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.58 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.66 |
Applications
Where Li4CrO4 is used.
Frequently Asked Questions
Common questions about Li4CrO4, answered from cross-validated data.
What is Li4CrO4?
Li4CrO4 is a semiconducting lithium oxide that is considered a promising candidate for synthesis and further investigation in materials science.
What is Li4CrO4 used for?
What is the band gap of Li4CrO4?
Is Li4CrO4 a metal, semiconductor, or insulator?
Is Li4CrO4 thermodynamically stable?
What is the crystal structure of Li4CrO4?
What is the density of Li4CrO4?
How many polymorphs of Li4CrO4 are known?
What elements does Li4CrO4 contain?
Where does the data for Li4CrO4 come from?
How It Compares
Within the lithium oxides class.
Within the diverse class of lithium oxides, Li4CrO4 occupies a distinct niche compared to well-established cathode materials like LiCoO2 or LiMn2O4. While those materials are widely utilized for their robust performance in commercial batteries, Li4CrO4 remains a more specialized subject of study, offering a different structural and electronic profile than the common spinel or layered oxides found in modern energy storage.
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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