Al8F40Sr8
Al8F40Sr8 is a stable, insulating fluoride compound containing aluminum and strontium.
About Al8F40Sr8
Al8F40Sr8 is a complex fluoride compound composed of aluminum, fluorine, and strontium. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement within its chemical system.
This material exhibits wide-band-gap insulating characteristics, making it an interesting candidate for applications requiring high electrical resistivity. Its structural integrity and electronic properties are subjects of ongoing investigation in materials science research.
Key Properties
Cross-validated computational properties for Al8F40Sr8, aggregated across 4 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 Al8F40Sr8, 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 | 7.14 | 0.0000 | -6.188 | 3.75 |
| P21/c (No. 14) | monoclinic | 7.41 | 0.0017 | -6.186 | 3.98 |
| I4 (No. 79) | tetragonal | 6.95 | 0.0095 | -6.178 | 3.71 |
| I4 (No. 79) | — | — | — | — | — |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | 3.30 |
| — | — | — | — | — | 3.72 |
| P21/c (No. 14) | monoclinic | — | — | — | 0.97 |
Applications
Where Al8F40Sr8 is used.
Frequently Asked Questions
Common questions about Al8F40Sr8, answered from cross-validated data.
What is Al8F40Sr8?
Al8F40Sr8 is a stable, insulating fluoride compound containing aluminum and strontium.
What is Al8F40Sr8 used for?
What is the band gap of Al8F40Sr8?
Is Al8F40Sr8 a metal, semiconductor, or insulator?
Is Al8F40Sr8 thermodynamically stable?
What is the crystal structure of Al8F40Sr8?
What is the density of Al8F40Sr8?
How many polymorphs of Al8F40Sr8 are known?
What elements does Al8F40Sr8 contain?
Where does the data for Al8F40Sr8 come from?
How It Compares
As a distinct fluoride phase, Al8F40Sr8 serves as a stable reference point within its chemical family. While it currently stands as a unique entry in this context, its position on the convex hull highlights its structural preference compared to less stable, competing phases in the aluminum-strontium-fluorine system.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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