Al6F34Na2Sr7
Al6F34Na2Sr7 is a complex, insulating fluoride compound that is theoretically stable and potentially synthesizable for advanced materials research.
About Al6F34Na2Sr7
Al6F34Na2Sr7 is a complex inorganic fluoride compound featuring a multi-element lattice structure. Its insulating electronic character and structural complexity make it a subject of interest for researchers exploring advanced dielectric materials and solid-state fluoride chemistry. The compound is considered near-hull in terms of thermodynamic stability, suggesting it is a viable candidate for experimental synthesis. Its existence across multiple structural databases highlights its significance in the systematic mapping of complex halide-based materials.
Key Properties
Cross-validated computational properties for Al6F34Na2Sr7, 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 Al6F34Na2Sr7, 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 | 6.96 | 0.0012 | -6.057 | 3.77 |
| — | — | — | — | — | 3.45 |
| — | — | — | — | — | 3.43 |
| — | — | — | — | — | 3.78 |
| — | — | — | — | — | 3.78 |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Al6F34Na2Sr7 is used.
Frequently Asked Questions
Common questions about Al6F34Na2Sr7, answered from cross-validated data.
What is Al6F34Na2Sr7?
Al6F34Na2Sr7 is a complex, insulating fluoride compound that is theoretically stable and potentially synthesizable for advanced materials research.
What is Al6F34Na2Sr7 used for?
What is the band gap of Al6F34Na2Sr7?
Is Al6F34Na2Sr7 a metal, semiconductor, or insulator?
Is Al6F34Na2Sr7 thermodynamically stable?
What is the crystal structure of Al6F34Na2Sr7?
What is the density of Al6F34Na2Sr7?
How many polymorphs of Al6F34Na2Sr7 are known?
What elements does Al6F34Na2Sr7 contain?
Where does the data for Al6F34Na2Sr7 come from?
How It Compares
As a unique fluoride compound, Al6F34Na2Sr7 represents a specialized structural motif within the broader landscape of complex metal fluorides. While many binary fluorides are well-characterized, this multi-component system occupies a specific niche, offering a distinct arrangement of aluminum, sodium, and strontium ions that differentiates it from simpler, more common halide structures.
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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