V2P2O7
Vanadium pyrophosphate · Divanadium pyrophosphate
Vanadium pyrophosphate is a crystalline inorganic compound that serves as a critical component in industrial catalytic processes. It is primarily utilized for the selective oxidation of hydrocarbons to produce valuable chemical intermediates.
Key Properties
Cross-validated computational properties for Vanadium pyrophosphate, 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 V2P2O7, 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/c (No. 14) | monoclinic | 2.99 | 0.0247 | -8.375 | 3.59 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0294 | -8.370 | 3.55 |
| P41 (No. 76) | tetragonal | 2.98 | 0.0982 | -8.302 | 3.64 |
| C2/m (No. 12) | — | — | — | — | — |
| P21/c (No. 14) | — | — | — | — | — |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.59 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.91 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.70 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.55 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.87 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.67 |
Applications
Where Vanadium pyrophosphate is used.
Frequently Asked Questions
Common questions about Vanadium pyrophosphate, answered from cross-validated data.
What is V2P2O7?
Vanadium pyrophosphate is a crystalline inorganic compound that serves as a critical component in industrial catalytic processes. It is primarily utilized for the selective oxidation of hydrocarbons to produce valuable chemical intermediates.
What is V2P2O7 used for?
What is the band gap of V2P2O7?
Is V2P2O7 a metal, semiconductor, or insulator?
Is V2P2O7 thermodynamically stable?
What is the crystal structure of V2P2O7?
What is the density of V2P2O7?
How many polymorphs of V2P2O7 are known?
What elements does V2P2O7 contain?
Where does the data for V2P2O7 come from?
Related Compounds
Other Transition-Metal Phosphates in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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