F8Sr2Zn2
F8Sr2Zn2 is a wide-band-gap insulating fluoride compound that is theoretically stable enough to be a viable target for experimental synthesis.
About F8Sr2Zn2
F8Sr2Zn2 is an insulating fluoride compound characterized by a wide electronic band gap. Its structural arrangement suggests a stable configuration that makes it a compelling subject for advanced materials research in the solid-state chemistry domain. Being near the thermodynamic hull, this compound is considered a strong candidate for successful laboratory synthesis. The existence of multiple reported structures across databases underscores its potential for diverse atomic configurations and physical properties.
Key Properties
Cross-validated computational properties for F8Sr2Zn2, 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 F8Sr2Zn2, 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. |
|---|---|---|---|---|---|
| I41/a (No. 88) | tetragonal | 5.06 | 0.0182 | -9.460 | 4.40 |
| I41/a (No. 88) | — | — | — | — | — |
| I41/a (No. 88) | — | — | — | — | — |
| — | — | — | — | — | 4.40 |
Applications
Where F8Sr2Zn2 is used.
Frequently Asked Questions
Common questions about F8Sr2Zn2, answered from cross-validated data.
What is F8Sr2Zn2?
F8Sr2Zn2 is a wide-band-gap insulating fluoride compound that is theoretically stable enough to be a viable target for experimental synthesis.
What is F8Sr2Zn2 used for?
What is the band gap of F8Sr2Zn2?
Is F8Sr2Zn2 a metal, semiconductor, or insulator?
Is F8Sr2Zn2 thermodynamically stable?
What is the crystal structure of F8Sr2Zn2?
What is the density of F8Sr2Zn2?
How many polymorphs of F8Sr2Zn2 are known?
What elements does F8Sr2Zn2 contain?
Where does the data for F8Sr2Zn2 come from?
How It Compares
As a unique fluoride phase, F8Sr2Zn2 occupies a distinct position in the landscape of strontium-zinc-based materials. While it currently stands as a singular entry in this specific chemical space, its stability profile suggests it could serve as a foundational reference point for future explorations of similar complex fluoride 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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