Be4Ca4F4Na4O24Si8
Be4Ca4F4Na4O24Si8 is a thermodynamically stable, insulating inorganic compound composed of beryllium, calcium, fluorine, sodium, oxygen, and silicon.
About Be4Ca4F4Na4O24Si8
Be4Ca4F4Na4O24Si8 is a complex inorganic compound characterized by its wide-band-gap insulating electronic profile. Its position on the convex hull confirms that it is a thermodynamically stable material, suggesting robust structural integrity under standard conditions.
This material represents a unique combination of beryllium, calcium, fluorine, sodium, oxygen, and silicon. Its stability and insulating nature make it an interesting subject for fundamental research into complex mineral-like structures and potential dielectric applications.
Key Properties
Cross-validated computational properties for Be4Ca4F4Na4O24Si8, 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 Be4Ca4F4Na4O24Si8, 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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 5.51 | 0.0000 | -7.412 | 2.97 |
| P212121 (No. 19) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.74 |
Frequently Asked Questions
Common questions about Be4Ca4F4Na4O24Si8, answered from cross-validated data.
What is Be4Ca4F4Na4O24Si8?
Be4Ca4F4Na4O24Si8 is a thermodynamically stable, insulating inorganic compound composed of beryllium, calcium, fluorine, sodium, oxygen, and silicon.
What is the band gap of Be4Ca4F4Na4O24Si8?
Is Be4Ca4F4Na4O24Si8 a metal, semiconductor, or insulator?
Is Be4Ca4F4Na4O24Si8 thermodynamically stable?
What is the crystal structure of Be4Ca4F4Na4O24Si8?
What is the density of Be4Ca4F4Na4O24Si8?
How many polymorphs of Be4Ca4F4Na4O24Si8 are known?
What elements does Be4Ca4F4Na4O24Si8 contain?
Where does the data for Be4Ca4F4Na4O24Si8 come from?
How It Compares
As a unique inorganic compound, Be4Ca4F4Na4O24Si8 stands as a distinct entry in the database. Without direct structural siblings in this specific class, it serves as a key reference point for understanding how these constituent elements can form stable, complex insulating frameworks.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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