LiVPO5
LiVPO5 is a stable, insulating vanadium phosphate compound frequently studied for its potential role in electrochemical energy storage systems.
About LiVPO5
LiVPO5 is a structurally robust member of the vanadium phosphate cathode family. As a thermodynamically stable phase located on the convex hull, it represents a reliable crystalline arrangement within this complex chemical system.
Characterized by a wide-band-gap insulating nature, this compound serves as a critical subject for fundamental materials research. Its prevalence in structural databases highlights its significance as a building block for understanding lithium-ion transport and electrochemical behavior in polyanionic frameworks.
Key Properties
Cross-validated computational properties for LiVPO5, 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 LiVPO5, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 1.56 | 0.0000 | -7.810 | 3.20 |
| P-1 (No. 2) | triclinic | 1.55 | 0.0071 | -7.803 | 3.18 |
| C2/c (No. 15) | monoclinic | 1.27 | 0.0270 | -7.783 | 3.21 |
| P21/c (No. 14) | monoclinic | 1.71 | 0.0275 | -7.782 | 3.17 |
| Pna21 (No. 33) | orthorhombic | 2.53 | 0.0319 | -7.778 | 3.23 |
| Aem2 (No. 39) | orthorhombic | 2.47 | 0.0379 | -7.772 | 3.05 |
| Pna21 (No. 33) | orthorhombic | 1.63 | 0.0481 | -7.762 | 2.62 |
| P212121 (No. 19) | orthorhombic | 3.16 | 0.0561 | -7.754 | 2.77 |
| P21 (No. 4) | monoclinic | 1.64 | 0.0565 | -7.753 | 2.69 |
| P212121 (No. 19) | orthorhombic | 2.98 | 0.0601 | -7.750 | 2.53 |
| P-1 (No. 2) | triclinic | 1.38 | 0.0611 | -7.749 | 2.72 |
| P-1 (No. 2) | triclinic | 0.00 | 0.0647 | -7.745 | 2.80 |
Applications
Where LiVPO5 is used.
Frequently Asked Questions
Common questions about LiVPO5, answered from cross-validated data.
What is LiVPO5?
LiVPO5 is a stable, insulating vanadium phosphate compound frequently studied for its potential role in electrochemical energy storage systems.
What is LiVPO5 used for?
What is the band gap of LiVPO5?
Is LiVPO5 a metal, semiconductor, or insulator?
Is LiVPO5 thermodynamically stable?
What is the crystal structure of LiVPO5?
What is the density of LiVPO5?
How many polymorphs of LiVPO5 are known?
What elements does LiVPO5 contain?
Where does the data for LiVPO5 come from?
How It Compares
Within the vanadium phosphate cathodes class.
Within the diverse landscape of vanadium phosphates, LiVPO5 distinguishes itself through its specific stoichiometry and high thermodynamic stability compared to more complex siblings like LiVP2O7 or Li5O29P8V3. While many members of this class are explored for their specific intercalation pathways, LiVPO5 remains a foundational reference point for studying the stability of lithium-vanadium-phosphate frameworks.
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.
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