Be12F48K8Mg8
Be12F48K8Mg8 is a thermodynamically stable, insulating inorganic compound composed of beryllium, fluorine, potassium, and magnesium.
About Be12F48K8Mg8
Be12F48K8Mg8 is a complex inorganic compound characterized by its insulating electronic nature and high thermodynamic stability. As a material situated on the convex hull, it represents a robust structural arrangement of beryllium, fluorine, potassium, and magnesium atoms.
This material is of significant interest in solid-state chemistry due to its unique compositional balance. Its wide-band-gap profile suggests potential utility in advanced optical or dielectric applications where insulating behavior is a primary requirement.
Key Properties
Cross-validated computational properties for Be12F48K8Mg8, 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 Be12F48K8Mg8, 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. |
|---|---|---|---|---|---|
| P213 (No. 198) | cubic | 7.13 | 0.0000 | -5.662 | 2.51 |
| P213 (No. 198) | — | — | — | — | — |
| — | — | — | — | — | 1.53 |
Applications
Where Be12F48K8Mg8 is used.
Frequently Asked Questions
Common questions about Be12F48K8Mg8, answered from cross-validated data.
What is Be12F48K8Mg8?
Be12F48K8Mg8 is a thermodynamically stable, insulating inorganic compound composed of beryllium, fluorine, potassium, and magnesium.
What is Be12F48K8Mg8 used for?
What is the band gap of Be12F48K8Mg8?
Is Be12F48K8Mg8 a metal, semiconductor, or insulator?
Is Be12F48K8Mg8 thermodynamically stable?
What is the crystal structure of Be12F48K8Mg8?
What is the density of Be12F48K8Mg8?
How many polymorphs of Be12F48K8Mg8 are known?
What elements does Be12F48K8Mg8 contain?
Where does the data for Be12F48K8Mg8 come from?
How It Compares
As a unique inorganic phase, Be12F48K8Mg8 occupies a distinct position within the landscape of complex fluorides. While it lacks direct structural siblings in this specific grouping, its stability on the convex hull marks it as a chemically favorable configuration compared to less stable, hypothetical arrangements of the same constituent elements.
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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