C2Li4O6
lithium oxalate · Li2C2O4
Lithium oxalate is a thermodynamically stable, insulating lithium salt that serves as a fundamental material in inorganic research.
About lithium oxalate
Lithium oxalate is a thermodynamically stable member of the lithium oxide class. As a wide-gap insulating material, it exhibits distinct electronic characteristics that differentiate it from the more conductive transition metal-based oxides often used in energy storage. Its structural integrity is well-documented, with numerous reported configurations across major materials databases.
This compound serves as a critical subject for fundamental materials science studies, particularly in understanding the stability of lithium-based salts. Its role as a stable, insulating phase makes it a valuable reference point for researchers investigating the complex phase diagrams of lithium-containing systems.
Key Properties
Cross-validated computational properties for lithium oxalate, 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 C2Li4O6, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 5.06 | 0.0000 | -6.897 | 2.14 |
| P63/mcm (No. 193) | hexagonal | 3.74 | 0.0669 | -6.830 | 2.43 |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
| P63/mcm (No. 193) | — | — | — | — | — |
| P63/mcm (No. 193) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
| — | — | — | — | — | 1.69 |
| — | — | — | — | — | 2.05 |
Applications
Where lithium oxalate is used.
Frequently Asked Questions
Common questions about lithium oxalate, answered from cross-validated data.
What is C2Li4O6?
Lithium oxalate is a thermodynamically stable, insulating lithium salt that serves as a fundamental material in inorganic research.
What is C2Li4O6 used for?
What is the band gap of C2Li4O6?
Is C2Li4O6 a metal, semiconductor, or insulator?
Is C2Li4O6 thermodynamically stable?
What is the crystal structure of C2Li4O6?
What is the density of C2Li4O6?
How many polymorphs of C2Li4O6 are known?
What elements does C2Li4O6 contain?
Where does the data for C2Li4O6 come from?
How It Compares
Within the lithium oxides class.
Unlike the transition metal-based members of the lithium oxide class such as LiCoO2, LiNiO2, or LiMn2O4, which are primarily utilized for their electrochemical activity in battery cathodes, lithium oxalate functions as a stable, insulating salt. While siblings like Li2O provide a simple binary oxide framework, this compound offers a more complex structural arrangement that highlights the diversity within the broader lithium oxide family.
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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