Ag3F14Hf2
Ag3F14Hf2 is a metastable, semiconducting compound composed of silver, hafnium, and fluorine atoms.
About Ag3F14Hf2
Ag3F14Hf2 is a complex inorganic fluoride compound that incorporates silver and hafnium within its crystalline framework. As a semiconducting material, it exhibits electronic properties that distinguish it from simple binary fluorides, making it a subject of interest for fundamental solid-state research. Its metastable nature suggests that its synthesis requires precise control over thermodynamic conditions to stabilize the desired atomic arrangement. The existence of multiple reported structures across databases highlights its structural flexibility and the ongoing effort to characterize its phase space. This compound serves as a niche example of how transition metals and noble metals can be integrated into complex anionic lattices to tune electronic behavior.
Key Properties
Cross-validated computational properties for Ag3F14Hf2, 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 Ag3F14Hf2, 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 | 0.16 | 0.0279 | -13.180 | 5.57 |
| — | — | — | — | — | 5.28 |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Ag3F14Hf2 is used.
Frequently Asked Questions
Common questions about Ag3F14Hf2, answered from cross-validated data.
What is Ag3F14Hf2?
Ag3F14Hf2 is a metastable, semiconducting compound composed of silver, hafnium, and fluorine atoms.
What is Ag3F14Hf2 used for?
What is the band gap of Ag3F14Hf2?
Is Ag3F14Hf2 a metal, semiconductor, or insulator?
Is Ag3F14Hf2 thermodynamically stable?
What is the crystal structure of Ag3F14Hf2?
What is the density of Ag3F14Hf2?
How many polymorphs of Ag3F14Hf2 are known?
What elements does Ag3F14Hf2 contain?
Where does the data for Ag3F14Hf2 come from?
How It Compares
As a unique ternary fluoride, Ag3F14Hf2 occupies a specialized position in materials science where few direct structural analogues exist. Unlike more common binary fluorides, this compound leverages the interplay between silver and hafnium to achieve a semiconducting state, marking it as a distinct entry in the catalog of complex fluoride materials.
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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