Cu4Li12O12
Cu4Li12O12 is a stable, semiconducting lithium oxide compound that serves as a subject of investigation for advanced materials science and solid-state chemistry.
About Cu4Li12O12
Cu4Li12O12 is a distinct member of the lithium oxide family, characterized by its semiconducting electronic nature. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of copper, lithium, and oxygen atoms that is of significant interest for fundamental materials research.
This compound is studied for its unique coordination environments within the lithium oxide class. Its stability suggests potential for specialized applications where controlled electronic behavior and structural integrity are required, distinguishing it from more common battery-active oxides.
Key Properties
Cross-validated computational properties for Cu4Li12O12, 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 Cu4Li12O12, 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/mnm (No. 136) | tetragonal | 1.18 | 0.0000 | -5.306 | 3.31 |
| P42/mnm (No. 136) | — | — | — | — | — |
| — | — | — | — | — | 3.14 |
| — | — | — | — | — | 2.41 |
Applications
Where Cu4Li12O12 is used.
Frequently Asked Questions
Common questions about Cu4Li12O12, answered from cross-validated data.
What is Cu4Li12O12?
Cu4Li12O12 is a stable, semiconducting lithium oxide compound that serves as a subject of investigation for advanced materials science and solid-state chemistry.
What is Cu4Li12O12 used for?
What is the band gap of Cu4Li12O12?
Is Cu4Li12O12 a metal, semiconductor, or insulator?
Is Cu4Li12O12 thermodynamically stable?
What is the crystal structure of Cu4Li12O12?
What is the density of Cu4Li12O12?
How many polymorphs of Cu4Li12O12 are known?
What elements does Cu4Li12O12 contain?
Where does the data for Cu4Li12O12 come from?
How It Compares
Within the lithium oxides class.
Unlike the widely utilized cathode materials such as LiCoO2 or LiMn2O4, which are primarily valued for their high-capacity ion intercalation properties, Cu4Li12O12 occupies a more niche structural space within the broader lithium oxide category. While siblings like Li2O serve as foundational electrolytes or precursors, this copper-containing variant offers a different electronic profile that contrasts with the transition-metal-heavy frameworks of LiNiO2 or LiV3O8.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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