LiVP2O7
LiVP2O7 is a stable, semiconducting vanadium phosphate material utilized in the development of high-performance battery cathodes.
About LiVP2O7
LiVP2O7 is a semiconducting vanadium phosphate compound that maintains high thermodynamic stability as a member of the convex hull. Its structural integrity makes it a subject of significant interest for electrochemical energy storage applications where stable framework materials are required.
As a member of the diverse vanadium phosphate family, this material benefits from the redox-active nature of vanadium centers within a robust polyanionic framework. Its prevalence in structural databases highlights its importance as a model system for investigating ion transport and structural evolution in battery electrodes.
Key Properties
Cross-validated computational properties for LiVP2O7, 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 LiVP2O7, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 2.15 | 0.0000 | -7.851 | 3.04 |
| C2 (No. 5) | monoclinic | 1.89 | 0.0070 | -7.844 | 3.18 |
| P-1 (No. 2) | triclinic | 2.10 | 0.0110 | -7.840 | 2.99 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.0163 | -7.835 | 2.97 |
| P21/c (No. 14) | monoclinic | 2.10 | 0.0177 | -7.833 | 2.94 |
| P-1 (No. 2) | triclinic | 2.20 | 0.0236 | -7.827 | 3.04 |
| P21/c (No. 14) | monoclinic | 2.02 | 0.0275 | -7.824 | 3.18 |
| P1 (No. 1) | triclinic | 2.09 | 0.0282 | -7.823 | 2.91 |
| C2/m (No. 12) | monoclinic | 2.04 | 0.0289 | -7.822 | 3.04 |
| P21/c (No. 14) | monoclinic | 2.03 | 0.0297 | -7.821 | 3.05 |
| P1 (No. 1) | triclinic | 1.97 | 0.0324 | -7.819 | 2.77 |
| P21 (No. 4) | monoclinic | 0.00 | 0.0325 | -7.818 | 2.82 |
Applications
Where LiVP2O7 is used.
Frequently Asked Questions
Common questions about LiVP2O7, answered from cross-validated data.
What is LiVP2O7?
LiVP2O7 is a stable, semiconducting vanadium phosphate material utilized in the development of high-performance battery cathodes.
What is LiVP2O7 used for?
What is the band gap of LiVP2O7?
Is LiVP2O7 a metal, semiconductor, or insulator?
Is LiVP2O7 thermodynamically stable?
What is the crystal structure of LiVP2O7?
What is the density of LiVP2O7?
How many polymorphs of LiVP2O7 are known?
What elements does LiVP2O7 contain?
Where does the data for LiVP2O7 come from?
How It Compares
Within the vanadium phosphate cathodes class.
Within the vanadium phosphate cathode class, LiVP2O7 occupies a distinct structural niche compared to siblings like LiVPO4 and LiVPO5. While many members of this class exhibit varying degrees of complexity in their polyanionic frameworks, LiVP2O7 is notable for its thermodynamic stability, providing a reliable baseline for comparing electrochemical performance against more complex compositions such as Li12O58P16V6 or Li5O29P8V3.
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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