LiCu2C2O7
LiCu2C2O7 is a metastable, semimetallic lithium copper oxocarbonate compound of interest for its specialized electronic properties.
About LiCu2C2O7
LiCu2C2O7 is a complex inorganic compound containing lithium, copper, carbon, and oxygen. As a metastable material, it represents a specialized structural configuration that has been documented across multiple independent research databases, highlighting its interest to the scientific community. The material exhibits a near-zero-gap electronic character, placing it in the semimetallic regime. This electronic behavior makes it a subject of intrigue for researchers investigating charge transport properties in unconventional transition metal oxide systems.
Key Properties
Cross-validated computational properties for LiCu2C2O7, 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 LiCu2C2O7, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.01 | 0.0768 | -6.764 | 3.37 |
| P1 (No. 1) | triclinic | 0.00 | 0.0857 | -6.755 | 2.91 |
| P-1 (No. 2) | triclinic | 0.00 | 0.0859 | -6.755 | 2.91 |
| Cc (No. 9) | monoclinic | 0.00 | 0.1251 | -6.716 | 2.91 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.91 |
| C2 (No. 5) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 3.06 |
| P1 (No. 1) | Triclinic | — | — | — | 2.96 |
Frequently Asked Questions
Common questions about LiCu2C2O7, answered from cross-validated data.
What is LiCu2C2O7?
LiCu2C2O7 is a metastable, semimetallic lithium copper oxocarbonate compound of interest for its specialized electronic properties.
What is the band gap of LiCu2C2O7?
Is LiCu2C2O7 a metal, semiconductor, or insulator?
Is LiCu2C2O7 thermodynamically stable?
What is the crystal structure of LiCu2C2O7?
What is the density of LiCu2C2O7?
How many polymorphs of LiCu2C2O7 are known?
What elements does LiCu2C2O7 contain?
Where does the data for LiCu2C2O7 come from?
How It Compares
As a unique inorganic system, LiCu2C2O7 occupies a distinct niche in materials science. Unlike more conventional, highly stable oxides, its metastable nature and semimetallic electronic profile suggest a complex bonding environment that differentiates it from standard insulating or metallic copper-based compounds.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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