Li2O26V12
Li2O26V12 is a metastable semiconducting lithium oxide compound that contributes to the structural diversity of the lithium-vanadium-oxygen material family.
About Li2O26V12
Li2O26V12 is a complex lithium oxide characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique structural arrangement within the lithium-vanadium-oxygen system, offering researchers insights into the diverse chemical pathways available in lithium-rich compounds.
This material is of interest for its potential in advanced electrochemical systems where specific structural configurations are required. Its existence as a metastable phase highlights the intricate balance of bonding environments that define the performance and stability of complex lithium oxides in energy-related applications.
Key Properties
Cross-validated computational properties for Li2O26V12, aggregated across 4 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 Li2O26V12, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 0.69 | 0.0835 | -8.452 | 3.62 |
| C2/m (No. 12) | monoclinic | 0.48 | 0.0873 | -8.448 | 3.64 |
| P-1 (No. 2) | triclinic | 0.00 | 0.4627 | -8.073 | 3.62 |
| No. 0 | unknown | — | — | — | 0.96 |
| — | — | — | — | — | 2.75 |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Li2O26V12 is used.
Frequently Asked Questions
Common questions about Li2O26V12, answered from cross-validated data.
What is Li2O26V12?
Li2O26V12 is a metastable semiconducting lithium oxide compound that contributes to the structural diversity of the lithium-vanadium-oxygen material family.
What is Li2O26V12 used for?
What is the band gap of Li2O26V12?
Is Li2O26V12 a metal, semiconductor, or insulator?
Is Li2O26V12 thermodynamically stable?
What is the crystal structure of Li2O26V12?
What is the density of Li2O26V12?
How many polymorphs of Li2O26V12 are known?
What elements does Li2O26V12 contain?
Where does the data for Li2O26V12 come from?
How It Compares
Within the lithium oxides class.
Unlike the highly stable and widely utilized LiCoO2 or LiMn2O4, which are cornerstones of commercial battery technology, Li2O26V12 occupies a more specialized niche as a metastable phase. While siblings like LiV3O8 are frequently investigated for their intercalation properties, this compound serves as a distinct structural variant that expands the compositional breadth of the lithium oxide class.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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