P2WO7
P2WO7 is a thermodynamically stable, wide-gap insulating inorganic compound composed of phosphorus, tungsten, and oxygen.
About P2WO7
P2WO7 is a distinct inorganic compound composed of phosphorus, tungsten, and oxygen. As a thermodynamically stable material situated on the convex hull, it exhibits robust structural integrity that makes it a subject of interest for fundamental materials characterization.
Characterized as a wide-gap insulator, this compound possesses electronic properties typical of stable dielectric materials. With multiple reported structures across various databases, it serves as a valuable reference point for researchers investigating the complex phase space of phosphate-tungstate systems.
Key Properties
Cross-validated computational properties for P2WO7, 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 P2WO7. 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 P2WO7, 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 (No. 4) | monoclinic | 3.09 | 0.0000 | -8.367 | 4.32 |
| P21 (No. 4) | monoclinic | 0.06 | 0.0222 | -2.122 | — |
| Pa-3 (No. 205) | cubic | 0.28 | 0.0288 | -8.338 | 4.19 |
| — | — | 0.00 | 0.0566 | -2.324 | — |
| — | — | 2.97 | 0.1451 | -2.235 | — |
| P-1 (No. 2) | triclinic | 2.16 | 0.1818 | -8.185 | 4.31 |
| P21/c (No. 14) | monoclinic | 2.77 | 0.1981 | -8.169 | 4.04 |
| Pa-3 (No. 205) | cubic | — | — | — | 4.73 |
| P-1 (No. 2) | triclinic | — | — | — | 4.79 |
| P21 (No. 4) | monoclinic | — | — | — | 4.19 |
| P-1 (No. 2) | triclinic | — | — | — | 4.31 |
| P21 (No. 4) | monoclinic | — | — | — | 4.36 |
Applications
Where P2WO7 is used.
Frequently Asked Questions
Common questions about P2WO7, answered from cross-validated data.
What is P2WO7?
P2WO7 is a thermodynamically stable, wide-gap insulating inorganic compound composed of phosphorus, tungsten, and oxygen.
What is P2WO7 used for?
What is the band gap of P2WO7?
Is P2WO7 a metal, semiconductor, or insulator?
Is P2WO7 thermodynamically stable?
What is the crystal structure of P2WO7?
What is the density of P2WO7?
How many polymorphs of P2WO7 are known?
What elements does P2WO7 contain?
Where does the data for P2WO7 come from?
How It Compares
As a unique member of its chemical family, P2WO7 represents a stable configuration within the broader landscape of tungsten-based phosphates, providing a baseline for understanding the structural diversity and electronic behavior of similar complex oxides.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- 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 P2WO7 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →