Ag4Fe4O28P8
Ag4Fe4O28P8 is a stable, semiconducting transition-metal phosphate compound containing silver and iron.
About Ag4Fe4O28P8
Ag4Fe4O28P8 is a complex transition-metal phosphate that exists as a thermodynamically stable phase on the convex hull. Its electronic character classifies it as a semiconductor, making it an intriguing subject for research into phosphate-based materials with tailored electronic properties.
This compound represents an interesting intersection of silver and iron chemistry within a phosphate framework. Its structural stability indicates a robust atomic arrangement that is significant for understanding the phase space of multi-component transition-metal phosphates.
Key Properties
Cross-validated computational properties for Ag4Fe4O28P8, 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 Ag4Fe4O28P8, 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 | 1.84 | 0.0000 | -7.355 | 4.12 |
| P21/c (No. 14) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.08 |
Applications
Where Ag4Fe4O28P8 is used.
Frequently Asked Questions
Common questions about Ag4Fe4O28P8, answered from cross-validated data.
What is Ag4Fe4O28P8?
Ag4Fe4O28P8 is a stable, semiconducting transition-metal phosphate compound containing silver and iron.
What is Ag4Fe4O28P8 used for?
What is the band gap of Ag4Fe4O28P8?
Is Ag4Fe4O28P8 a metal, semiconductor, or insulator?
Is Ag4Fe4O28P8 thermodynamically stable?
What is the crystal structure of Ag4Fe4O28P8?
What is the density of Ag4Fe4O28P8?
How many polymorphs of Ag4Fe4O28P8 are known?
What elements does Ag4Fe4O28P8 contain?
Where does the data for Ag4Fe4O28P8 come from?
How It Compares
Within the transition-metal phosphates class.
Unlike the widely utilized olivine-structured battery materials such as LiFePO4 or LiMnPO4, which are primarily studied for their lithium-ion intercalation capabilities, Ag4Fe4O28P8 occupies a distinct structural niche within the broader class of transition-metal phosphates. While siblings like LiFeP2O7 or TiP2O7 are often explored for their electrochemical or ionic conductivity, Ag4Fe4O28P8 provides a unique structural template that highlights the diversity of electronic and chemical environments possible in this material family.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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