Be4K4O16P4
Be4K4O16P4 is a stable, insulating beryllium potassium phosphate compound used in fundamental materials research.
About Be4K4O16P4
Be4K4O16P4 is a complex phosphate material characterized by its insulating electronic nature and high thermodynamic stability. As a member of the broader family of beryllium-containing phosphates, it occupies a position on the convex hull, indicating significant structural robustness under standard conditions.
This compound is of interest in materials science research due to its distinct structural arrangement and stability. Its wide-band-gap electronic character suggests potential utility in applications where electrical insulation or specific optical properties are required, making it a subject of interest for fundamental structural studies.
Key Properties
Cross-validated computational properties for Be4K4O16P4, 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 Be4K4O16P4, 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. |
|---|---|---|---|---|---|
| Pna21 (No. 33) | orthorhombic | 5.26 | 0.0000 | -7.186 | 2.61 |
| Pna21 (No. 33) | — | — | — | — | — |
| — | — | — | — | — | 2.14 |
Applications
Where Be4K4O16P4 is used.
Frequently Asked Questions
Common questions about Be4K4O16P4, answered from cross-validated data.
What is Be4K4O16P4?
Be4K4O16P4 is a stable, insulating beryllium potassium phosphate compound used in fundamental materials research.
What is Be4K4O16P4 used for?
What is the band gap of Be4K4O16P4?
Is Be4K4O16P4 a metal, semiconductor, or insulator?
Is Be4K4O16P4 thermodynamically stable?
What is the crystal structure of Be4K4O16P4?
What is the density of Be4K4O16P4?
How many polymorphs of Be4K4O16P4 are known?
What elements does Be4K4O16P4 contain?
Where does the data for Be4K4O16P4 come from?
How It Compares
As a unique phosphate structure, Be4K4O16P4 represents a specialized composition within the landscape of beryllium-based inorganic materials. While it lacks direct structural analogs in this specific class, its thermodynamic stability distinguishes it as a reliable candidate for further investigation into the properties of complex alkali-beryllium phosphates.
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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