Zn2P2O7
Zinc pyrophosphate
Zn2P2O7 is a stable, wide-gap insulating zinc pyrophosphate used in specialized technical and dielectric applications.
About Zinc pyrophosphate
Zn2P2O7 is a thermodynamically stable inorganic compound that belongs to the broader category of oxide materials. As a wide-gap insulator, it exhibits distinct electronic characteristics that differentiate it from typical conductive oxides, making it a subject of interest for structural and dielectric research. Its stability on the convex hull ensures it remains a robust candidate for experimental characterization across its multiple known structural phases. The compound is primarily utilized in specialized technical applications where its insulating nature and chemical durability are essential for performance. Its presence in diverse databases highlights its significance as a well-documented material in solid-state chemistry.
Key Properties
Cross-validated computational properties for Zinc 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Zn2P2O7. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Zn2P2O7, 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/m (No. 12) | monoclinic | 4.06 | 0.0000 | -2.074 | — |
| — | — | 4.02 | 0.0000 | -2.298 | — |
| Pbcm (No. 57) | orthorhombic | 3.69 | 0.0000 | -6.795 | 3.74 |
| C2/c (No. 15) | monoclinic | 3.63 | 0.0229 | -6.772 | 4.20 |
| — | — | 4.19 | 0.0248 | -2.273 | — |
| — | — | 3.98 | 0.0286 | -2.269 | — |
| — | — | 0.00 | 0.0286 | -2.269 | — |
| — | — | 4.04 | 0.0305 | -2.267 | — |
| — | — | 3.99 | 0.0330 | -2.265 | — |
| C2/m (No. 12) | monoclinic | 3.65 | 0.0336 | -6.762 | 4.11 |
| — | — | 3.98 | 0.0359 | -2.262 | — |
| C2/c (No. 15) | monoclinic | — | — | — | 4.17 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Zn2P2O7.
Applications
Where Zinc pyrophosphate is used.
Frequently Asked Questions
Common questions about Zinc pyrophosphate, answered from cross-validated data.
What is Zn2P2O7?
Zn2P2O7 is a stable, wide-gap insulating zinc pyrophosphate used in specialized technical and dielectric applications.
What is Zn2P2O7 used for?
What is the band gap of Zn2P2O7?
Is Zn2P2O7 a metal, semiconductor, or insulator?
Is Zn2P2O7 thermodynamically stable?
What is the crystal structure of Zn2P2O7?
How many polymorphs of Zn2P2O7 are known?
How is Zn2P2O7 synthesized?
What elements does Zn2P2O7 contain?
Where does the data for Zn2P2O7 come from?
How It Compares
Within the transparent conducting oxides class.
While many members of the transparent conducting oxide class, such as ZnO or BaSnO3, are engineered for their high electrical conductivity, Zn2P2O7 stands apart as a wide-gap insulator. Unlike the semiconducting ZnGa2O4 or the magnetic ZnFe2O4, this pyrophosphate prioritizes dielectric stability, serving as a distinct structural counterpart to the more conductive zinc-based oxides found within the same chemical family.
Related Compounds
Other Transparent Conducting Oxides in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze Zn2P2O7 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →