Ag3P11
Ag3P11 is a stable, semiconducting silver phosphide compound that exhibits complex structural characteristics.
About Ag3P11
Ag3P11 is a distinct silver phosphide compound characterized by its semiconducting electronic nature. As a thermodynamically stable material residing on the convex hull, it represents a robust phase within the silver-phosphorus binary system. Its structural integrity makes it a subject of interest for researchers investigating complex phosphide architectures.
The material is notable for its structural diversity, with multiple reported configurations across various databases. This complexity suggests a rich potential for tailoring electronic properties, positioning it as a valuable candidate for fundamental studies in semiconductor physics and materials science.
Key Properties
Cross-validated computational properties for Ag3P11, aggregated across 6 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 Ag3P11. 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 Ag3P11, 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. |
|---|---|---|---|---|---|
| — | — | 0.96 | 0.0000 | -0.225 | — |
| Cm (No. 8) | monoclinic | 0.91 | 0.0000 | -0.020 | — |
| Cm (No. 8) | monoclinic | 0.83 | 0.0000 | -11.695 | 3.85 |
| Cm (No. 8) | monoclinic | 0.91 | — | -4.374 | 3.68 |
| Cm (No. 8) | monoclinic | — | — | — | 3.90 |
| Cm (No. 8) | monoclinic | — | — | — | 3.76 |
| Cm (No. 8) | monoclinic | — | — | — | 3.84 |
| Cm (No. 8) | monoclinic | — | — | — | 3.88 |
Applications
Where Ag3P11 is used.
Frequently Asked Questions
Common questions about Ag3P11, answered from cross-validated data.
What is Ag3P11?
Ag3P11 is a stable, semiconducting silver phosphide compound that exhibits complex structural characteristics.
What is Ag3P11 used for?
What is the band gap of Ag3P11?
Is Ag3P11 a metal, semiconductor, or insulator?
Is Ag3P11 thermodynamically stable?
What is the crystal structure of Ag3P11?
How many polymorphs of Ag3P11 are known?
What elements does Ag3P11 contain?
Where does the data for Ag3P11 come from?
How It Compares
As a unique silver phosphide, Ag3P11 serves as a critical reference point for understanding the phase stability and electronic behavior of metal-rich phosphorus frameworks, standing as a thermodynamically favored structure within its chemical family.
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)
- aflow — Data from AFLOW (aflow.org). Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
Analyze Ag3P11 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →