Al4Ca4F24H8Na4O4
Al4Ca4F24H8Na4O4 is a complex, wide-gap insulating compound composed of aluminum, calcium, fluorine, hydrogen, sodium, and oxygen.
About Al4Ca4F24H8Na4O4
Al4Ca4F24H8Na4O4 is a complex inorganic compound characterized by its wide-gap insulating electronic profile. Its composition, involving aluminum, calcium, fluorine, hydrogen, sodium, and oxygen, places it in a unique structural category of multi-element salts.
Due to its near-hull thermodynamic stability, this material is considered a viable candidate for synthesis and experimental characterization. It represents an interesting case study for researchers exploring the stability of complex hydrated fluorides within solid-state chemistry.
Key Properties
Cross-validated computational properties for Al4Ca4F24H8Na4O4, 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 Al4Ca4F24H8Na4O4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 6.78 | 0.0214 | -5.698 | 2.87 |
| C2/c (No. 15) | monoclinic | 6.64 | 0.0221 | -5.697 | 2.86 |
| No. 0 | unknown | — | — | — | 0.75 |
| P21/c (No. 14) | — | — | — | — | — |
Applications
Where Al4Ca4F24H8Na4O4 is used.
Frequently Asked Questions
Common questions about Al4Ca4F24H8Na4O4, answered from cross-validated data.
What is Al4Ca4F24H8Na4O4?
Al4Ca4F24H8Na4O4 is a complex, wide-gap insulating compound composed of aluminum, calcium, fluorine, hydrogen, sodium, and oxygen.
What is Al4Ca4F24H8Na4O4 used for?
What is the band gap of Al4Ca4F24H8Na4O4?
Is Al4Ca4F24H8Na4O4 a metal, semiconductor, or insulator?
Is Al4Ca4F24H8Na4O4 thermodynamically stable?
What is the crystal structure of Al4Ca4F24H8Na4O4?
What is the density of Al4Ca4F24H8Na4O4?
How many polymorphs of Al4Ca4F24H8Na4O4 are known?
What elements does Al4Ca4F24H8Na4O4 contain?
Where does the data for Al4Ca4F24H8Na4O4 come from?
How It Compares
As a complex multi-element compound, Al4Ca4F24H8Na4O4 occupies a specialized niche in inorganic chemistry. While it does not share its structural class with other common compounds, its stability profile suggests it serves as a distinct example of how diverse ionic species can be integrated into a single, potentially synthesizable framework.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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