As4Be4Cs4O16
As4Be4Cs4O16 is a stable, wide-gap insulating quaternary oxide that exhibits significant structural variety.

About As4Be4Cs4O16
As4Be4Cs4O16 is a complex inorganic compound characterized by its insulating electronic nature and high thermodynamic stability. Its position on the convex hull suggests a robust crystalline arrangement that resists decomposition under standard conditions. The material is notable for its structural diversity, with multiple reported configurations across major databases. This structural flexibility makes it a subject of interest for researchers investigating the interplay between its constituent elements and long-range atomic order.
Key Properties
Cross-validated computational properties for As4Be4Cs4O16, aggregated across 4 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 As4Be4Cs4O16, 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 | 3.88 | 0.0000 | -6.451 | 4.32 |
| Pna21 (No. 33) | — | — | — | — | — |
| — | — | — | — | — | 4.16 |
| Pna21 (No. 33) | orthorhombic | — | — | — | 1.10 |
| — | — | — | — | — | 4.16 |
Applications
Where As4Be4Cs4O16 is used.
Frequently Asked Questions
Common questions about As4Be4Cs4O16, answered from cross-validated data.
What is As4Be4Cs4O16?
As4Be4Cs4O16 is a stable, wide-gap insulating quaternary oxide that exhibits significant structural variety.
What is As4Be4Cs4O16 used for?
What is the band gap of As4Be4Cs4O16?
Is As4Be4Cs4O16 a metal, semiconductor, or insulator?
Is As4Be4Cs4O16 thermodynamically stable?
What is the crystal structure of As4Be4Cs4O16?
What is the density of As4Be4Cs4O16?
How many polymorphs of As4Be4Cs4O16 are known?
What elements does As4Be4Cs4O16 contain?
Where does the data for As4Be4Cs4O16 come from?
How It Compares
As a unique inorganic compound, As4Be4Cs4O16 represents a specialized structural architecture within its chemical family. Unlike more common binary or ternary oxides, this quaternary system offers a distinct coordination environment that distinguishes it from simpler insulating materials, providing a foundation for studying complex lattice dynamics.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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