AgO4PZn
AgO4PZn is a stable, semiconducting quaternary phosphate containing silver and zinc that serves as a valuable subject for materials research.
About AgO4PZn
AgO4PZn is a transition-metal phosphate that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of silver, zinc, oxygen, and phosphorus atoms. Its stability and electronic profile make it a subject of interest for researchers investigating complex inorganic frameworks. This compound is primarily utilized in academic research to expand the understanding of quaternary phosphate systems and their potential for specialized functional applications. Its structural diversity is highlighted by multiple known configurations within material databases.
Key Properties
Cross-validated computational properties for AgO4PZn, 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 AgO4PZn. 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 AgO4PZn, 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/c (No. 14) | monoclinic | 1.74 | 0.0000 | -6.215 | 4.32 |
| P21/c (No. 14) | monoclinic | 1.72 | 0.0255 | -6.190 | 4.61 |
| P1 (No. 1) | triclinic | 1.89 | 0.0314 | -6.184 | 4.62 |
| — | — | — | — | — | 4.30 |
| No. 0 | unknown | — | — | — | 1.13 |
Applications
Where AgO4PZn is used.
Frequently Asked Questions
Common questions about AgO4PZn, answered from cross-validated data.
What is AgO4PZn?
AgO4PZn is a stable, semiconducting quaternary phosphate containing silver and zinc that serves as a valuable subject for materials research.
What is AgO4PZn used for?
What is the band gap of AgO4PZn?
Is AgO4PZn a metal, semiconductor, or insulator?
Is AgO4PZn thermodynamically stable?
What is the crystal structure of AgO4PZn?
What is the density of AgO4PZn?
How many polymorphs of AgO4PZn are known?
What elements does AgO4PZn contain?
Where does the data for AgO4PZn come from?
How It Compares
Within the transition-metal phosphates class.
Within the diverse family of transition-metal phosphates, AgO4PZn occupies a distinct niche compared to well-known battery materials like LiFePO4 or LiCoPO4. While many of its siblings are extensively studied for their electrochemical performance in lithium-ion systems, AgO4PZn offers a unique combination of elements that differentiates its electronic and structural landscape from the more common iron- or cobalt-based phosphates.
Related Compounds
Other Transition-Metal Phosphates in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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