Li5O29P8V3
Li5O29P8V3 is a complex, semiconducting vanadium phosphate compound utilized in the study of advanced cathode materials for energy storage.
About Li5O29P8V3
Li5O29P8V3 is a complex vanadium phosphate compound that functions as a semiconducting material. Its structural configuration is of significant interest for researchers investigating high-capacity cathode architectures for next-generation batteries. Due to its metastable nature, this compound offers unique pathways for ion transport and electrochemical activity within solid-state systems. It represents a specialized member of the vanadium phosphate family, where the arrangement of lithium, oxygen, phosphorus, and vanadium provides a distinct framework for charge storage. This material is primarily studied for its potential to improve energy density and cycle life in lithium-based electrochemical devices.
Key Properties
Cross-validated computational properties for Li5O29P8V3, aggregated across 2 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 Li5O29P8V3, 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 | 0.93 | 0.0320 | -7.589 | 2.55 |
| P1 (No. 1) | triclinic | 1.22 | 0.0321 | -7.589 | 2.54 |
| P1 (No. 1) | triclinic | 1.09 | 0.0323 | -7.589 | 2.56 |
| P1 (No. 1) | triclinic | 1.32 | 0.0323 | -7.589 | 2.55 |
| P1 (No. 1) | triclinic | 0.81 | 0.0324 | -7.589 | 2.56 |
| Cc (No. 9) | monoclinic | 1.34 | 0.0325 | -7.589 | 2.52 |
| P1 (No. 1) | triclinic | 0.59 | 0.0329 | -7.589 | 2.58 |
| P1 (No. 1) | triclinic | 1.12 | 0.0330 | -7.588 | 2.54 |
| P1 (No. 1) | triclinic | 0.69 | 0.0331 | -7.588 | 2.54 |
| P1 (No. 1) | triclinic | 1.09 | 0.0335 | -7.588 | 2.54 |
| Cc (No. 9) | monoclinic | 1.14 | 0.0336 | -7.588 | 2.57 |
| P1 (No. 1) | triclinic | 0.92 | 0.0339 | -7.588 | 2.56 |
Applications
Where Li5O29P8V3 is used.
Frequently Asked Questions
Common questions about Li5O29P8V3, answered from cross-validated data.
What is Li5O29P8V3?
Li5O29P8V3 is a complex, semiconducting vanadium phosphate compound utilized in the study of advanced cathode materials for energy storage.
What is Li5O29P8V3 used for?
What is the band gap of Li5O29P8V3?
Is Li5O29P8V3 a metal, semiconductor, or insulator?
Is Li5O29P8V3 thermodynamically stable?
What is the crystal structure of Li5O29P8V3?
What is the density of Li5O29P8V3?
How many polymorphs of Li5O29P8V3 are known?
What elements does Li5O29P8V3 contain?
Where does the data for Li5O29P8V3 come from?
How It Compares
Within the vanadium phosphate cathodes class.
Within the diverse class of vanadium phosphates, Li5O29P8V3 occupies a distinct structural niche compared to simpler compounds like LiVPO4 or LiVP2O7. While many of its siblings are characterized by more straightforward phosphate-vanadate frameworks, this material exhibits a higher degree of complexity in its atomic arrangement, which influences its electrochemical behavior and stability profile relative to more common cathode materials.
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).
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