Ag2Ba2P2
Ag2Ba2P2 is a thermodynamically stable semiconducting ternary phosphide composed of silver, barium, and phosphorus.
About Ag2Ba2P2
Ag2Ba2P2 is a ternary phosphide compound that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement of silver, barium, and phosphorus atoms.
This material is of significant interest to researchers investigating complex pnictides for electronic and optoelectronic applications. Its stability and distinct electronic profile make it a noteworthy subject for studies into the structure-property relationships of ternary metal phosphides.
Key Properties
Cross-validated computational properties for Ag2Ba2P2, 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.
Reported Structures
Lowest-energy structures reported for Ag2Ba2P2, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.12 | 0.0000 | -4.115 | 5.79 |
| P63/mmc (No. 194) | — | — | — | — | — |
| — | — | — | — | — | 5.74 |
| — | — | — | — | — | 4.61 |
Applications
Where Ag2Ba2P2 is used.
Frequently Asked Questions
Common questions about Ag2Ba2P2, answered from cross-validated data.
What is Ag2Ba2P2?
Ag2Ba2P2 is a thermodynamically stable semiconducting ternary phosphide composed of silver, barium, and phosphorus.
What is Ag2Ba2P2 used for?
What is the band gap of Ag2Ba2P2?
Is Ag2Ba2P2 a metal, semiconductor, or insulator?
Is Ag2Ba2P2 thermodynamically stable?
What is the crystal structure of Ag2Ba2P2?
What is the density of Ag2Ba2P2?
How many polymorphs of Ag2Ba2P2 are known?
What elements does Ag2Ba2P2 contain?
Where does the data for Ag2Ba2P2 come from?
How It Compares
As a unique ternary phosphide, Ag2Ba2P2 occupies a specialized niche in materials science. Unlike simpler binary phosphides, this compound leverages the interplay between the noble metal silver and the alkaline earth metal barium to achieve a stable semiconducting framework that serves as a foundation for exploring more complex multinary systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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