Li2TiCo2O5
This complex oxide is a lithium-based ceramic material often investigated for its electrochemical properties. It is primarily studied as a potential electrode material for advanced energy storage systems.
Overview
Key Properties
Cross-validated computational properties for Li2TiCo2O5, 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.
0.78–1.59 eV
Range across DFT structures
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.
0.060 eV/atom
Best (lowest) across sources
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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
17
3 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Li2TiCo2O5, 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 | 1.30 | 0.0597 | -7.310 | 4.67 |
| C2 (No. 5) | monoclinic | 1.59 | 0.0836 | -7.286 | 4.62 |
| C2 (No. 5) | monoclinic | 1.42 | 0.0915 | -7.278 | 4.67 |
| P-1 (No. 2) | triclinic | 0.78 | 0.1008 | -7.269 | 4.64 |
| P1 (No. 1) | triclinic | 1.37 | 0.1894 | -7.180 | 4.63 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.88 |
| P1 (No. 1) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.67 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.93 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.67 |
| C2/c (No. 15) | Monoclinic | — | — | — | 5.00 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.82 |
Uses
Applications
Where Li2TiCo2O5 is used.
Lithium-ion battery researchElectrochemical energy storageSolid-state ionics
Reference
Frequently Asked Questions
Common questions about Li2TiCo2O5, answered from cross-validated data.
What is Li2TiCo2O5?
This complex oxide is a lithium-based ceramic material often investigated for its electrochemical properties. It is primarily studied as a potential electrode material for advanced energy storage systems.
More questions
What is Li2TiCo2O5 used for?
Li2TiCo2O5 is used in lithium-ion battery research, electrochemical energy storage, and solid-state ionics.
What is the band gap of Li2TiCo2O5?
Li2TiCo2O5 has a DFT-computed band gap of 0.78–1.59 eV across 17 reported structures.
Is Li2TiCo2O5 a metal, semiconductor, or insulator?
With a band gap up to 1.59 eV it is a semiconductor.
Is Li2TiCo2O5 thermodynamically stable?
Li2TiCo2O5 has a lowest energy above hull of 0.060 eV/atom (metastable).
What is the crystal structure of Li2TiCo2O5?
The lowest-energy reported polymorph of Li2TiCo2O5 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of Li2TiCo2O5?
The computed density of the ground-state structure of Li2TiCo2O5 is 4.67 g/cm³.
How many polymorphs of Li2TiCo2O5 are known?
17 structures of Li2TiCo2O5 are reported across 3 databases, spanning 4 distinct space groups.
What elements does Li2TiCo2O5 contain?
Li2TiCo2O5 contains Co, Li, O, and Ti (4 elements).
Where does the data for Li2TiCo2O5 come from?
Li2TiCo2O5 data is cross-referenced from materials_project, mpaloe, jarvis.
Explore
Related Compounds
Other Layered Lithium Transition-Metal 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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