LiVP3HO10
LiVP3HO10 is a metastable, semiconducting vanadium phosphate compound investigated for its potential utility in lithium-ion battery cathode applications.
About LiVP3HO10
LiVP3HO10 belongs to the complex family of vanadium phosphate cathode materials, characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique structural arrangement within the phosphate-based framework, offering distinct pathways for ion transport and electrochemical activity.
This compound is of significant interest in the development of next-generation energy storage systems. Its structural complexity and the presence of hydrogen within the lattice provide a specialized environment for lithium-ion mobility, making it a subject of ongoing investigation for high-performance battery applications.
Key Properties
Cross-validated computational properties for LiVP3HO10, 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 LiVP3HO10, 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. |
|---|---|---|---|---|---|
| Pca21 (No. 29) | orthorhombic | 2.10 | 0.0365 | -7.534 | 2.21 |
| P2/c (No. 13) | monoclinic | 2.25 | 0.0417 | -7.529 | 2.50 |
| P1 (No. 1) | triclinic | 2.20 | 0.0524 | -7.519 | 2.11 |
| C2/c (No. 15) | monoclinic | 2.17 | 0.0664 | -7.505 | 2.33 |
| P-1 (No. 2) | triclinic | 2.34 | 0.0795 | -7.491 | 2.56 |
| C2 (No. 5) | monoclinic | 2.23 | 0.0887 | -7.482 | 2.19 |
| P-1 (No. 2) | triclinic | 2.76 | 0.0893 | -7.482 | 2.83 |
| P1 (No. 1) | Triclinic | — | — | — | 2.11 |
| C2 (No. 5) | Monoclinic | — | — | — | 2.24 |
| P1 (No. 1) | Triclinic | — | — | — | 2.16 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.56 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.76 |
Applications
Where LiVP3HO10 is used.
Frequently Asked Questions
Common questions about LiVP3HO10, answered from cross-validated data.
What is LiVP3HO10?
LiVP3HO10 is a metastable, semiconducting vanadium phosphate compound investigated for its potential utility in lithium-ion battery cathode applications.
What is LiVP3HO10 used for?
What is the band gap of LiVP3HO10?
Is LiVP3HO10 a metal, semiconductor, or insulator?
Is LiVP3HO10 thermodynamically stable?
What is the crystal structure of LiVP3HO10?
What is the density of LiVP3HO10?
How many polymorphs of LiVP3HO10 are known?
What elements does LiVP3HO10 contain?
Where does the data for LiVP3HO10 come from?
How It Compares
Within the vanadium phosphate cathodes class.
Within the diverse landscape of vanadium phosphate cathodes, LiVP3HO10 occupies a specialized niche compared to simpler structures like LiVPO4 or LiVP2O7. While many of its siblings are extensively studied for their robust cycling stability, this compound's metastable nature and specific stoichiometry suggest a more nuanced role in structural research, distinguishing it from the more conventional members of the Li-V-P-O system.
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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