Be6Cl2Li8O24P6
Be6Cl2Li8O24P6 is a thermodynamically stable insulating compound composed of beryllium, chlorine, lithium, oxygen, and phosphorus.
About Be6Cl2Li8O24P6
Be6Cl2Li8O24P6 is a complex inorganic compound characterized by its insulating electronic nature and high thermodynamic stability. Its position on the convex hull suggests a robust structural arrangement that resists decomposition under standard conditions. The material is of interest to researchers investigating multi-element phosphate-based frameworks. Its unique stoichiometry involving beryllium, chlorine, lithium, and phosphorus provides a distinct chemical environment that is currently being evaluated for specialized structural applications.
Key Properties
Cross-validated computational properties for Be6Cl2Li8O24P6, 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 Be6Cl2Li8O24P6, 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. |
|---|---|---|---|---|---|
| P-43n (No. 218) | cubic | 6.42 | 0.0000 | -7.058 | 2.33 |
| P-43n (No. 218) | — | — | — | — | — |
| — | — | — | — | — | 1.83 |
Applications
Where Be6Cl2Li8O24P6 is used.
Frequently Asked Questions
Common questions about Be6Cl2Li8O24P6, answered from cross-validated data.
What is Be6Cl2Li8O24P6?
Be6Cl2Li8O24P6 is a thermodynamically stable insulating compound composed of beryllium, chlorine, lithium, oxygen, and phosphorus.
What is Be6Cl2Li8O24P6 used for?
What is the band gap of Be6Cl2Li8O24P6?
Is Be6Cl2Li8O24P6 a metal, semiconductor, or insulator?
Is Be6Cl2Li8O24P6 thermodynamically stable?
What is the crystal structure of Be6Cl2Li8O24P6?
What is the density of Be6Cl2Li8O24P6?
How many polymorphs of Be6Cl2Li8O24P6 are known?
What elements does Be6Cl2Li8O24P6 contain?
Where does the data for Be6Cl2Li8O24P6 come from?
How It Compares
As a unique inorganic phase, Be6Cl2Li8O24P6 represents a specialized structural motif within the broader landscape of complex phosphates. Unlike more common binary or ternary oxides, this compound leverages a dense arrangement of lithium and beryllium to maintain stability, serving as a notable example of how complex stoichiometry can yield thermodynamically favorable insulating materials.
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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