Li7CuO4
Li7CuO4 is a metastable, lithium-rich semiconducting oxide used primarily in fundamental materials science research.
About Li7CuO4
Li7CuO4 is a lithium-rich oxide that exhibits semiconducting electronic behavior. As a metastable phase, it represents a complex arrangement of lithium, copper, and oxygen atoms that offers intriguing possibilities for materials research in solid-state chemistry.
Its significance lies in its specific compositional makeup, which distinguishes it from more common lithium-based oxides. Researchers study this compound to better understand the stability limits and structural variations possible within lithium-rich oxide systems.
Key Properties
Cross-validated computational properties for Li7CuO4, 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 Li7CuO4, 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. |
|---|---|---|---|---|---|
| P42/nmc (No. 137) | tetragonal | 2.25 | 0.0931 | -4.916 | 2.77 |
| P42/nmc (No. 137) | — | — | — | — | — |
| P42/nmc (No. 137) | Tetragonal | — | — | — | 2.77 |
| P42/nmc (No. 137) | Tetragonal | — | — | — | 2.89 |
| P42/nmc (No. 137) | Tetragonal | — | — | — | 2.97 |
Applications
Where Li7CuO4 is used.
Frequently Asked Questions
Common questions about Li7CuO4, answered from cross-validated data.
What is Li7CuO4?
Li7CuO4 is a metastable, lithium-rich semiconducting oxide used primarily in fundamental materials science research.
What is Li7CuO4 used for?
What is the band gap of Li7CuO4?
Is Li7CuO4 a metal, semiconductor, or insulator?
Is Li7CuO4 thermodynamically stable?
What is the crystal structure of Li7CuO4?
What is the density of Li7CuO4?
How many polymorphs of Li7CuO4 are known?
What elements does Li7CuO4 contain?
Where does the data for Li7CuO4 come from?
How It Compares
Within the lithium oxides class.
Unlike the highly stable and widely utilized cathode materials such as LiCoO2 and LiNiO2, Li7CuO4 is characterized by its metastable nature. While Li2O serves as a fundamental building block for the class, Li7CuO4 represents a more specialized, less common structural configuration that highlights the diverse bonding environments found within lithium oxides.
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 Li7CuO4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →