Li2CuO2
Li2CuO2 is a metallic lithium copper oxide compound that is considered a viable candidate for synthesis due to its near-hull thermodynamic stability.
About Li2CuO2
Li2CuO2 is a metallic lithium oxide that sits near the thermodynamic hull, indicating its potential for synthesis and stability in experimental conditions. Its electronic character distinguishes it from many insulating lithium-based oxides, positioning it as a unique candidate for fundamental studies in solid-state chemistry.
This compound represents a specialized niche within the broader family of lithium oxides. Its structural versatility is evidenced by the multiple reported configurations found in research databases, highlighting its significance in exploring complex transition metal oxide systems.
Key Properties
Cross-validated computational properties for Li2CuO2, 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 Li2CuO2, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.00 | 0.0144 | -5.225 | 3.77 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0474 | -5.192 | 3.78 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.4692 | -4.770 | 3.16 |
| Immm (No. 71) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Immm (No. 71) | Orthorhombic | — | — | — | 3.63 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.78 |
| Immm (No. 71) | Orthorhombic | — | — | — | 3.78 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.97 |
| Immm (No. 71) | Orthorhombic | — | — | — | 3.74 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.94 |
Applications
Where Li2CuO2 is used.
Frequently Asked Questions
Common questions about Li2CuO2, answered from cross-validated data.
What is Li2CuO2?
Li2CuO2 is a metallic lithium copper oxide compound that is considered a viable candidate for synthesis due to its near-hull thermodynamic stability.
What is Li2CuO2 used for?
What is the band gap of Li2CuO2?
Is Li2CuO2 a metal, semiconductor, or insulator?
Is Li2CuO2 thermodynamically stable?
What is the crystal structure of Li2CuO2?
What is the density of Li2CuO2?
How many polymorphs of Li2CuO2 are known?
What elements does Li2CuO2 contain?
Where does the data for Li2CuO2 come from?
How It Compares
Within the lithium oxides class.
Unlike the widely utilized cathode materials such as LiCoO2 or LiNiO2, which are typically insulating or semiconducting, Li2CuO2 exhibits metallic electronic behavior. While Li2O serves as a fundamental binary oxide building block, Li2CuO2 offers a more intricate structural framework that differentiates it from the spinel-structured LiMn2O4 or the layered Li2MnO3.
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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