P2WO8
P2WO8 is a stable, insulating inorganic oxide containing phosphorus and tungsten.
About P2WO8
P2WO8 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 an intriguing subject for fundamental materials research.
Characterized as a wide-gap insulator, this compound possesses electronic properties typical of stable oxide frameworks. Its presence across multiple structural databases highlights its significance as a well-defined crystalline phase within the broader landscape of tungsten-based phosphates.
Key Properties
Cross-validated computational properties for P2WO8, 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 P2WO8. 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 P2WO8, 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 | 2.47 | 0.0000 | -8.171 | 4.46 |
| — | — | 2.38 | 0.0000 | -2.412 | — |
| C2/m (No. 12) | monoclinic | 2.02 | 0.0000 | -2.214 | — |
| Pnma (No. 62) | orthorhombic | 2.53 | 0.0012 | -8.170 | 4.41 |
| P212121 (No. 19) | orthorhombic | 2.27 | 0.0051 | -8.166 | 3.77 |
| P21/c (No. 14) | monoclinic | 2.96 | 0.0071 | -8.164 | 3.55 |
| P21/c (No. 14) | monoclinic | 1.92 | 0.0717 | -8.100 | 4.10 |
| C2/m (No. 12) | monoclinic | — | — | — | 4.26 |
| C2/m (No. 12) | monoclinic | — | — | — | 4.36 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.52 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.10 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.23 |
Synthesis Routes
Literature-extracted synthesis procedures targeting P2WO8.
Applications
Where P2WO8 is used.
Frequently Asked Questions
Common questions about P2WO8, answered from cross-validated data.
What is P2WO8?
P2WO8 is a stable, insulating inorganic oxide containing phosphorus and tungsten.
What is P2WO8 used for?
What is the band gap of P2WO8?
Is P2WO8 a metal, semiconductor, or insulator?
Is P2WO8 thermodynamically stable?
What is the crystal structure of P2WO8?
What is the density of P2WO8?
How many polymorphs of P2WO8 are known?
How is P2WO8 synthesized?
What elements does P2WO8 contain?
Where does the data for P2WO8 come from?
How It Compares
As a thermodynamically stable phase, P2WO8 represents a reliable structural archetype within the family of complex tungsten phosphates, serving as a benchmark for stability and electronic insulation in this class of materials.
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)
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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