AgPO3
silver metaphosphate · silver(I) metaphosphate
Silver metaphosphate is a stable, semiconducting material used in the development of specialized glasses and ionic conductors.
About silver metaphosphate
Silver metaphosphate is a thermodynamically stable inorganic compound that exists as a semiconducting material. Its structural versatility is highlighted by multiple reported configurations, reflecting its significance in solid-state chemistry and materials research.
This compound is primarily valued for its role in specialized glass formulations and ionic conductors. Its stability on the convex hull makes it a reliable subject for investigations into the fundamental behavior of phosphate-based systems and their electronic properties.
Key Properties
Cross-validated computational properties for silver metaphosphate, 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 AgPO3. 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 AgPO3, 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. |
|---|---|---|---|---|---|
| — | — | 2.14 | 0.0000 | -1.839 | — |
| P21/c (No. 14) | monoclinic | 2.14 | 0.0000 | -1.601 | — |
| P21/c (No. 14) | monoclinic | 2.02 | 0.0000 | -6.579 | 4.74 |
| P21/c (No. 14) | monoclinic | 2.12 | 0.0454 | -6.533 | 4.69 |
| — | — | 1.99 | 0.0832 | -1.756 | — |
| — | — | 1.40 | 0.2164 | -1.623 | — |
| — | — | 1.48 | 0.2469 | -1.592 | — |
| — | — | 0.00 | 0.8983 | -0.941 | — |
| P21/c (No. 14) | monoclinic | — | — | — | 4.69 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.79 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.69 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.73 |
Synthesis Routes
Literature-extracted synthesis procedures targeting AgPO3.
Applications
Where silver metaphosphate is used.
Frequently Asked Questions
Common questions about silver metaphosphate, answered from cross-validated data.
What is AgPO3?
Silver metaphosphate is a stable, semiconducting material used in the development of specialized glasses and ionic conductors.
What is AgPO3 used for?
What is the band gap of AgPO3?
Is AgPO3 a metal, semiconductor, or insulator?
Is AgPO3 thermodynamically stable?
What is the crystal structure of AgPO3?
How many polymorphs of AgPO3 are known?
How is AgPO3 synthesized?
What elements does AgPO3 contain?
Where does the data for AgPO3 come from?
How It Compares
As a distinct silver-based phosphate, this compound represents a key structural archetype within the broader family of metal metaphosphates, serving as a foundational reference point for understanding how silver cations influence the network structure and semiconducting behavior of phosphate glasses.
Data sources & attribution
- 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)
- 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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