Al2B6Ca2O14
Al2B6Ca2O14 is a complex, wide-gap insulating oxide that is theoretically stable and potentially synthesizable for advanced material research.
About Al2B6Ca2O14
Al2B6Ca2O14 is a complex oxide featuring aluminum, boron, and calcium. As a wide-gap insulator, it exhibits electronic properties characteristic of materials that resist electrical conduction, making it a subject of interest for specialized structural and electronic applications.
Its status as a near-hull phase suggests that it is thermodynamically stable and likely synthesizable under appropriate laboratory conditions. With multiple reported structures, this compound serves as a valuable entry in the study of multi-component borate-aluminate systems.
Key Properties
Cross-validated computational properties for Al2B6Ca2O14, 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 Al2B6Ca2O14, 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. |
|---|---|---|---|---|---|
| Cmme (No. 67) | orthorhombic | 5.38 | 0.0164 | -8.168 | 3.35 |
| — | — | — | — | — | 2.67 |
| Cmme (No. 67) | — | — | — | — | — |
| Cmme (No. 67) | — | — | — | — | — |
Applications
Where Al2B6Ca2O14 is used.
Frequently Asked Questions
Common questions about Al2B6Ca2O14, answered from cross-validated data.
What is Al2B6Ca2O14?
Al2B6Ca2O14 is a complex, wide-gap insulating oxide that is theoretically stable and potentially synthesizable for advanced material research.
What is Al2B6Ca2O14 used for?
What is the band gap of Al2B6Ca2O14?
Is Al2B6Ca2O14 a metal, semiconductor, or insulator?
Is Al2B6Ca2O14 thermodynamically stable?
What is the crystal structure of Al2B6Ca2O14?
What is the density of Al2B6Ca2O14?
How many polymorphs of Al2B6Ca2O14 are known?
What elements does Al2B6Ca2O14 contain?
Where does the data for Al2B6Ca2O14 come from?
How It Compares
As a unique multi-component oxide, Al2B6Ca2O14 occupies a distinct niche in materials science. It serves as a representative example of how combining aluminum and boron within a calcium-oxide framework can yield stable, insulating architectures that warrant further investigation for potential high-performance applications.
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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