Ag4O12P2V2
Ag4O12P2V2 is a semiconducting transition-metal phosphate that is theoretically stable and serves as a candidate for advanced electrochemical materials research.
About Ag4O12P2V2
Ag4O12P2V2 is a complex transition-metal phosphate characterized by its semiconducting electronic nature. Its structural composition suggests a versatile framework capable of supporting diverse electrochemical processes, making it a focus for materials scientists exploring new ionic conductors or cathode alternatives. The material is considered near-hull stable, indicating that it is a viable candidate for experimental synthesis and further structural characterization. As a member of the phosphate family, it offers a robust anionic architecture that can accommodate transition metal cations within its lattice. This stability and electronic profile position it as an intriguing material for specialized applications in energy storage and solid-state electronics.
Key Properties
Cross-validated computational properties for Ag4O12P2V2, 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 Ag4O12P2V2, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 1.83 | 0.0019 | -6.864 | 5.08 |
| C2/m (No. 12) | — | — | — | — | — |
| — | — | — | — | — | 5.02 |
Applications
Where Ag4O12P2V2 is used.
Frequently Asked Questions
Common questions about Ag4O12P2V2, answered from cross-validated data.
What is Ag4O12P2V2?
Ag4O12P2V2 is a semiconducting transition-metal phosphate that is theoretically stable and serves as a candidate for advanced electrochemical materials research.
What is Ag4O12P2V2 used for?
What is the band gap of Ag4O12P2V2?
Is Ag4O12P2V2 a metal, semiconductor, or insulator?
Is Ag4O12P2V2 thermodynamically stable?
What is the crystal structure of Ag4O12P2V2?
What is the density of Ag4O12P2V2?
How many polymorphs of Ag4O12P2V2 are known?
What elements does Ag4O12P2V2 contain?
Where does the data for Ag4O12P2V2 come from?
How It Compares
Within the transition-metal phosphates class.
Unlike the well-established olivine-structured battery materials such as LiFePO4, LiMnPO4, and LiCoPO4, which are primarily optimized for lithium-ion mobility, Ag4O12P2V2 represents a more complex structural variant within the broader transition-metal phosphate class. While materials like TiP2O7 or LiFeP2O7 are frequently studied for their structural rigidity and thermal resilience, Ag4O12P2V2 incorporates silver into its framework, which introduces distinct electronic and coordination environments compared to the simpler alkali-metal-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).
- 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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