Li2V3CoO8
This inorganic compound is a complex oxide containing lithium, vanadium, and cobalt. It is primarily investigated as a potential electrode material for advanced energy storage systems due to its structural properties.
Overview
Key Properties
Cross-validated computational properties for Li2V3CoO8, 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.
0.54–1.76 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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
42
3 databases, 12 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Li2V3CoO8, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 0.00 | 0.0000 | -7.981 | 4.04 |
| P213 (No. 198) | cubic | 1.64 | 0.0964 | -7.885 | 3.95 |
| R3 (No. 146) | trigonal | 1.52 | 0.0987 | -7.883 | 3.95 |
| R3 (No. 146) | trigonal | 1.76 | 0.1043 | -7.877 | 3.96 |
| Cc (No. 9) | monoclinic | 1.58 | 0.1070 | -7.874 | 3.97 |
| R3m (No. 160) | trigonal | 0.00 | 0.1117 | -7.870 | 3.96 |
| P2/c (No. 13) | monoclinic | 1.11 | 0.1275 | -7.854 | 4.05 |
| P1 (No. 1) | triclinic | 0.54 | 0.1352 | -7.846 | 3.96 |
| P-1 (No. 2) | triclinic | 0.00 | 0.1378 | -7.844 | 4.03 |
| P1 (No. 1) | triclinic | 0.80 | 0.1450 | -7.836 | 4.07 |
| C2/m (No. 12) | monoclinic | 0.84 | 0.1457 | -7.836 | 4.05 |
| P-1 (No. 2) | triclinic | 0.00 | 0.1468 | -7.835 | 4.04 |
Uses
Applications
Where Li2V3CoO8 is used.
Lithium-ion battery researchElectrochemical energy storage development
Reference
Frequently Asked Questions
Common questions about Li2V3CoO8, answered from cross-validated data.
What is Li2V3CoO8?
This inorganic compound is a complex oxide containing lithium, vanadium, and cobalt. It is primarily investigated as a potential electrode material for advanced energy storage systems due to its structural properties.
More questions
What is Li2V3CoO8 used for?
Li2V3CoO8 is used in lithium-ion battery research and electrochemical energy storage development.
What is the band gap of Li2V3CoO8?
Li2V3CoO8 has a DFT-computed band gap of 0.54–1.76 eV across 42 reported structures.
Is Li2V3CoO8 a metal, semiconductor, or insulator?
With a band gap up to 1.76 eV it is a semiconductor.
Is Li2V3CoO8 thermodynamically stable?
Yes — Li2V3CoO8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Li2V3CoO8?
The lowest-energy reported polymorph of Li2V3CoO8 is triclinic symmetry, space group P1 (No. 1).
What is the density of Li2V3CoO8?
The computed density of the ground-state structure of Li2V3CoO8 is 4.04 g/cm³.
How many polymorphs of Li2V3CoO8 are known?
42 structures of Li2V3CoO8 are reported across 3 databases, spanning 12 distinct space groups.
What elements does Li2V3CoO8 contain?
Li2V3CoO8 contains Co, Li, O, and V (4 elements).
Where does the data for Li2V3CoO8 come from?
Li2V3CoO8 data is cross-referenced from materials_project, 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).
- mpaloe — Data from mpaloe.
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