Al4B4Na4O14
Al4B4Na4O14 is a thermodynamically stable, wide-band-gap insulating oxide containing aluminum, boron, sodium, and oxygen.
About Al4B4Na4O14
Al4B4Na4O14 is a complex oxide composed of aluminum, boron, sodium, and oxygen. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement within its chemical system. Its insulating electronic character suggests potential utility in applications requiring dielectric stability or high-temperature resistance. The existence of multiple reported structures highlights the versatility of this compound in different crystalline configurations. This material is of interest to researchers exploring the intersection of light-element chemistry and complex oxide frameworks. Its stability makes it a compelling subject for studies involving structural phase transitions and the fundamental behavior of mixed-cation borates.
Key Properties
Cross-validated computational properties for Al4B4Na4O14, 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 Al4B4Na4O14, 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-31c (No. 163) | trigonal | 4.34 | 0.0000 | -7.421 | 2.42 |
| Cc (No. 9) | monoclinic | 4.34 | 0.0001 | -7.421 | 2.42 |
| P21/m (No. 11) | monoclinic | 4.24 | 0.0002 | -7.421 | 2.42 |
| — | — | — | — | — | 2.02 |
| — | — | — | — | — | 2.31 |
| P-31c (No. 163) | — | — | — | — | — |
Applications
Where Al4B4Na4O14 is used.
Frequently Asked Questions
Common questions about Al4B4Na4O14, answered from cross-validated data.
What is Al4B4Na4O14?
Al4B4Na4O14 is a thermodynamically stable, wide-band-gap insulating oxide containing aluminum, boron, sodium, and oxygen.
What is Al4B4Na4O14 used for?
What is the band gap of Al4B4Na4O14?
Is Al4B4Na4O14 a metal, semiconductor, or insulator?
Is Al4B4Na4O14 thermodynamically stable?
What is the crystal structure of Al4B4Na4O14?
What is the density of Al4B4Na4O14?
How many polymorphs of Al4B4Na4O14 are known?
What elements does Al4B4Na4O14 contain?
Where does the data for Al4B4Na4O14 come from?
How It Compares
As a unique, thermodynamically stable oxide in its chemical space, Al4B4Na4O14 serves as a foundational reference point for understanding the structural diversity of sodium-aluminum borates. Unlike more common binary oxides, this quaternary compound demonstrates how complex stoichiometry can stabilize specific lattice arrangements, providing a model for predicting the behavior of similar multi-component insulating materials.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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