Li2AlCoO4
This compound is a complex oxide containing lithium, aluminum, and cobalt. It is primarily studied as a potential cathode material for advanced energy storage systems due to its structural properties.
Overview
Key Properties
Cross-validated computational properties for Li2AlCoO4, 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.
0.03–1.79 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.
0.034 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.
50
3 databases, 10 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Li2AlCoO4, 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 | 0.74 | 0.0341 | -6.698 | 3.92 |
| P1 (No. 1) | triclinic | 0.03 | 0.0539 | -6.678 | 3.98 |
| P-1 (No. 2) | triclinic | 0.00 | 0.0678 | -6.665 | 3.99 |
| Pc (No. 7) | monoclinic | 1.72 | 0.0795 | -6.653 | 3.13 |
| C2221 (No. 20) | orthorhombic | 1.66 | 0.0832 | -6.649 | 3.02 |
| Pna21 (No. 33) | orthorhombic | 1.64 | 0.0838 | -6.649 | 3.16 |
| Pmn21 (No. 31) | orthorhombic | 1.79 | 0.0839 | -6.648 | 3.17 |
| Pnma (No. 62) | orthorhombic | 1.78 | 0.0846 | -6.648 | 3.16 |
| P21/c (No. 14) | monoclinic | 1.58 | 0.0895 | -6.643 | 3.08 |
| P21/c (No. 14) | monoclinic | 1.70 | 0.0904 | -6.642 | 3.08 |
| Pnma (No. 62) | orthorhombic | 1.71 | 0.0934 | -6.639 | 3.07 |
| P21/c (No. 14) | monoclinic | 0.85 | 0.1339 | -6.599 | 3.38 |
Uses
Applications
Where Li2AlCoO4 is used.
Lithium-ion battery researchElectrochemical energy storage development
Reference
Frequently Asked Questions
Common questions about Li2AlCoO4, answered from cross-validated data.
What is Li2AlCoO4?
This compound is a complex oxide containing lithium, aluminum, and cobalt. It is primarily studied as a potential cathode material for advanced energy storage systems due to its structural properties.
More questions
What is Li2AlCoO4 used for?
Li2AlCoO4 is used in lithium-ion battery research and electrochemical energy storage development.
What is the band gap of Li2AlCoO4?
Li2AlCoO4 has a DFT-computed band gap of 0.03–1.79 eV across 50 reported structures.
Is Li2AlCoO4 a metal, semiconductor, or insulator?
With a band gap up to 1.79 eV it is a semiconductor.
Is Li2AlCoO4 thermodynamically stable?
Li2AlCoO4 has a lowest energy above hull of 0.034 eV/atom (metastable).
What is the crystal structure of Li2AlCoO4?
The lowest-energy reported polymorph of Li2AlCoO4 is monoclinic symmetry, space group C2/m (No. 12).
What is the density of Li2AlCoO4?
The computed density of the ground-state structure of Li2AlCoO4 is 3.92 g/cm³.
How many polymorphs of Li2AlCoO4 are known?
50 structures of Li2AlCoO4 are reported across 3 databases, spanning 10 distinct space groups.
What elements does Li2AlCoO4 contain?
Li2AlCoO4 contains Al, Co, Li, and O (4 elements).
Where does the data for Li2AlCoO4 come from?
Li2AlCoO4 data is cross-referenced from materials_project, jarvis, mpaloe.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
Analyze Li2AlCoO4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →