LiV2PO7
LiV2PO7 is a semiconducting vanadium phosphate material studied for its potential use in lithium-ion battery cathodes.
About LiV2PO7
LiV2PO7 is a semiconducting vanadium phosphate compound recognized for its role in electrochemical energy storage research. As a metastable phase, it represents a complex structural arrangement within the broader family of lithium-vanadium-phosphorus-oxygen materials, offering unique pathways for ion transport.
This material is primarily investigated for its potential in high-performance battery cathodes. Its electronic character and structural framework are critical factors in understanding how vanadium-based systems can be optimized for stability and capacity in next-generation power applications.
Key Properties
Cross-validated computational properties for LiV2PO7, 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 LiV2PO7, 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. |
|---|---|---|---|---|---|
| P21 (No. 4) | monoclinic | 1.54 | 0.0906 | -8.003 | 3.23 |
| P21 (No. 4) | Monoclinic | — | — | — | 3.23 |
| P21 (No. 4) | Monoclinic | — | — | — | 3.35 |
| P21 (No. 4) | Monoclinic | — | — | — | 3.54 |
| P21 (No. 4) | — | — | — | — | — |
Applications
Where LiV2PO7 is used.
Frequently Asked Questions
Common questions about LiV2PO7, answered from cross-validated data.
What is LiV2PO7?
LiV2PO7 is a semiconducting vanadium phosphate material studied for its potential use in lithium-ion battery cathodes.
What is LiV2PO7 used for?
What is the band gap of LiV2PO7?
Is LiV2PO7 a metal, semiconductor, or insulator?
Is LiV2PO7 thermodynamically stable?
What is the crystal structure of LiV2PO7?
What is the density of LiV2PO7?
How many polymorphs of LiV2PO7 are known?
What elements does LiV2PO7 contain?
Where does the data for LiV2PO7 come from?
How It Compares
Within the vanadium phosphate cathodes class.
Within the diverse landscape of vanadium phosphate cathodes, LiV2PO7 occupies a distinct structural niche compared to more common members like LiVPO4. While many of its siblings exhibit varying degrees of thermodynamic stability and structural complexity, LiV2PO7 is noted for its specific stoichiometry, which influences its electrochemical behavior differently than the more widely characterized lithium-vanadium-phosphate phases.
Related Compounds
Other Vanadium Phosphate Cathodes 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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