VZn2P2O9
VZn2P2O9 is a semiconducting transition-metal phosphate that is theoretically stable enough to be synthesized for research purposes.
About VZn2P2O9
VZn2P2O9 is a complex transition-metal phosphate characterized by its semiconducting electronic nature. As a material that sits near the thermodynamic hull, it is considered a viable candidate for experimental synthesis and structural investigation within the broader family of phosphate-based compounds.
This material is of interest to researchers exploring the intersection of vanadium and zinc chemistry in phosphate frameworks. Its structural diversity, evidenced by multiple reported configurations, suggests it may play a role in specialized applications where specific electronic or coordination environments are required.
Key Properties
Cross-validated computational properties for VZn2P2O9, 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 VZn2P2O9, 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. |
|---|---|---|---|---|---|
| I4cm (No. 108) | tetragonal | 2.60 | 0.0159 | -7.222 | 3.41 |
| I4cm (No. 108) | — | — | — | — | — |
| I4cm (No. 108) | Tetragonal | — | — | — | 3.70 |
| I4cm (No. 108) | Tetragonal | — | — | — | 3.41 |
| I4cm (No. 108) | Tetragonal | — | — | — | 3.49 |
Applications
Where VZn2P2O9 is used.
Frequently Asked Questions
Common questions about VZn2P2O9, answered from cross-validated data.
What is VZn2P2O9?
VZn2P2O9 is a semiconducting transition-metal phosphate that is theoretically stable enough to be synthesized for research purposes.
What is VZn2P2O9 used for?
What is the band gap of VZn2P2O9?
Is VZn2P2O9 a metal, semiconductor, or insulator?
Is VZn2P2O9 thermodynamically stable?
What is the crystal structure of VZn2P2O9?
What is the density of VZn2P2O9?
How many polymorphs of VZn2P2O9 are known?
What elements does VZn2P2O9 contain?
Where does the data for VZn2P2O9 come from?
How It Compares
Within the transition-metal phosphates class.
Within the diverse class of transition-metal phosphates, VZn2P2O9 occupies a distinct niche compared to well-known battery materials like LiFePO4 or LiCoPO4. While those lithium-containing siblings are primarily optimized for ion-storage and electrochemical performance, VZn2P2O9 is distinguished by its unique stoichiometry and electronic character, positioning it more as a candidate for fundamental materials science exploration rather than standard energy storage applications.
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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