Ag2F12Ta2
Ag2F12Ta2 is a thermodynamically stable, insulating inorganic compound composed of silver, fluorine, and tantalum.
About Ag2F12Ta2
Ag2F12Ta2 is a complex inorganic compound characterized by its insulating electronic nature and high thermodynamic stability. As a member of the silver-fluorine-tantalum system, it occupies a unique position on the convex hull, indicating a robust structural arrangement that resists decomposition under standard conditions. Its distinct chemical composition makes it a subject of interest for researchers exploring stable, wide-gap materials. The compound has been identified across multiple structural databases, reflecting its significance in computational materials science and solid-state chemistry. By maintaining a stable configuration, it serves as a reliable candidate for studies involving complex fluoride-based frameworks.
Key Properties
Cross-validated computational properties for Ag2F12Ta2, 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 Ag2F12Ta2, 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. |
|---|---|---|---|---|---|
| P42/mcm (No. 132) | tetragonal | 3.55 | 0.0000 | -14.002 | 5.74 |
| — | — | — | — | — | 5.32 |
| P42/mcm (No. 132) | — | — | — | — | — |
| — | — | — | — | — | 5.32 |
Applications
Where Ag2F12Ta2 is used.
Frequently Asked Questions
Common questions about Ag2F12Ta2, answered from cross-validated data.
What is Ag2F12Ta2?
Ag2F12Ta2 is a thermodynamically stable, insulating inorganic compound composed of silver, fluorine, and tantalum.
What is Ag2F12Ta2 used for?
What is the band gap of Ag2F12Ta2?
Is Ag2F12Ta2 a metal, semiconductor, or insulator?
Is Ag2F12Ta2 thermodynamically stable?
What is the crystal structure of Ag2F12Ta2?
What is the density of Ag2F12Ta2?
How many polymorphs of Ag2F12Ta2 are known?
What elements does Ag2F12Ta2 contain?
Where does the data for Ag2F12Ta2 come from?
How It Compares
As a unique inorganic phase, Ag2F12Ta2 represents a specialized structural motif within its chemical system. Unlike more common binary fluorides, this compound integrates tantalum into a stable lattice with silver, providing a distinct electronic environment that differentiates it from simpler, more reactive metallic fluoride counterparts.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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