Ag3PO4
silver phosphate · silver orthophosphate
Silver phosphate is a stable, semiconducting material frequently utilized for its photocatalytic properties in chemical research.
About silver phosphate
Silver phosphate is a thermodynamically stable inorganic compound composed of silver, phosphorus, and oxygen. As a semiconducting material, it has garnered significant interest in the scientific community due to its unique electronic properties and potential for light-driven chemical reactions.
Its stability on the convex hull makes it a robust candidate for experimental investigation. With multiple reported crystal structures, this compound serves as a versatile subject for researchers studying high-performance photocatalysts and specialized chemical sensors.
Key Properties
Cross-validated computational properties for silver phosphate, 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 Ag3PO4. 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 Ag3PO4, 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. |
|---|---|---|---|---|---|
| R3c (No. 161) | trigonal | 0.74 | 0.0000 | -1.164 | — |
| — | — | 0.58 | 0.0000 | -1.330 | — |
| R3c (No. 161) | trigonal | 0.42 | 0.0000 | -5.626 | 6.38 |
| P-43n (No. 218) | cubic | 0.18 | 0.0025 | -5.624 | 6.39 |
| P-43n (No. 218) | cubic | 0.33 | 0.0109 | -1.153 | — |
| — | — | 0.34 | 0.0209 | -1.309 | — |
| — | — | 0.46 | 0.0228 | -1.307 | — |
| — | — | 0.27 | 0.0295 | -1.301 | — |
| Pm-3n (No. 223) | cubic | 0.00 | 1.1475 | -0.017 | — |
| Pm-3n (No. 223) | cubic | 0.00 | 1.2233 | -4.403 | 6.33 |
| — | — | 0.00 | 1.2418 | -0.088 | — |
| P-43n (No. 218) | cubic | — | — | — | 6.44 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Ag3PO4.
Applications
Where silver phosphate is used.
Frequently Asked Questions
Common questions about silver phosphate, answered from cross-validated data.
What is Ag3PO4?
Silver phosphate is a stable, semiconducting material frequently utilized for its photocatalytic properties in chemical research.
What is Ag3PO4 used for?
What is the band gap of Ag3PO4?
Is Ag3PO4 a metal, semiconductor, or insulator?
Is Ag3PO4 thermodynamically stable?
What is the crystal structure of Ag3PO4?
What is the density of Ag3PO4?
How many polymorphs of Ag3PO4 are known?
How is Ag3PO4 synthesized?
What elements does Ag3PO4 contain?
Where does the data for Ag3PO4 come from?
How It Compares
As a distinct inorganic compound, silver phosphate occupies a unique niche in materials science. It is recognized for its specific electronic behavior, which distinguishes it from more common insulating or metallic phosphates, allowing it to function effectively in specialized catalytic environments.
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.
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