LiCO
LiCO is an unstable, semiconducting lithium oxide compound characterized by a diverse range of potential structural configurations.
About LiCO
LiCO is a semiconducting member of the lithium oxide family. Its structural complexity is highlighted by the significant number of reported configurations found across multiple materials databases, reflecting an intricate arrangement of lithium, carbon, and oxygen atoms.
As a material that sits above the thermodynamic hull, LiCO is considered inherently unstable under standard conditions. This metastability makes it a subject of interest for researchers investigating phase transitions and the fundamental limits of lithium-based chemical bonding.
Key Properties
Cross-validated computational properties for LiCO, 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 LiCO, 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/m (No. 12) | monoclinic | 2.22 | 0.2629 | -7.404 | 1.67 |
| P1 (No. 1) | Triclinic | — | — | — | 1.78 |
| P1 (No. 1) | Triclinic | — | — | — | 1.85 |
| Pc (No. 7) | Monoclinic | — | — | — | 2.08 |
| P21/m (No. 11) | Monoclinic | — | — | — | 1.35 |
| C2/m (No. 12) | Monoclinic | — | — | — | 1.42 |
| C2/m (No. 12) | Monoclinic | — | — | — | 1.73 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.12 |
| P21/m (No. 11) | Monoclinic | — | — | — | 1.69 |
| P21/m (No. 11) | Monoclinic | — | — | — | 1.85 |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Frequently Asked Questions
Common questions about LiCO, answered from cross-validated data.
What is LiCO?
LiCO is an unstable, semiconducting lithium oxide compound characterized by a diverse range of potential structural configurations.
What is the band gap of LiCO?
Is LiCO a metal, semiconductor, or insulator?
Is LiCO thermodynamically stable?
What is the crystal structure of LiCO?
What is the density of LiCO?
How many polymorphs of LiCO are known?
What elements does LiCO contain?
Where does the data for LiCO come from?
How It Compares
Within the lithium oxides class.
Unlike the highly stable and commercially ubiquitous LiCoO2 or Li2O, which serve as foundational components in modern battery technology, LiCO represents a more exotic and less robust phase within the lithium oxide class. While siblings like LiNiO2 and LiMn2O4 are optimized for electrochemical performance, LiCO remains a theoretical curiosity due to its lack of thermodynamic stability.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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