B16La16O32
B16La16O32 is a wide-gap insulating lanthanum borate compound that is theoretically stable and potentially synthesizable.
About B16La16O32
B16La16O32 is a complex oxide composed of lanthanum, boron, and oxygen. As a wide-gap insulator, it exhibits electronic characteristics typical of stable dielectric materials, making it a subject of interest for fundamental structural research.
Its position near the thermodynamic hull suggests that it is a viable candidate for experimental synthesis. The compound represents a specific configuration within the lanthanum-borate system, providing researchers with insights into the structural diversity of ternary metal oxides.
Key Properties
Cross-validated computational properties for B16La16O32, 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 B16La16O32, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 4.54 | 0.0042 | -8.658 | 7.16 |
| P21/c (No. 14) | monoclinic | 4.20 | 0.0157 | -8.646 | 8.30 |
| — | — | — | — | — | 4.95 |
| — | — | — | — | — | 4.95 |
| No. 0 | unknown | — | — | — | 1.22 |
| — | — | — | — | — | 4.95 |
Applications
Where B16La16O32 is used.
Frequently Asked Questions
Common questions about B16La16O32, answered from cross-validated data.
What is B16La16O32?
B16La16O32 is a wide-gap insulating lanthanum borate compound that is theoretically stable and potentially synthesizable.
What is B16La16O32 used for?
What is the band gap of B16La16O32?
Is B16La16O32 a metal, semiconductor, or insulator?
Is B16La16O32 thermodynamically stable?
What is the crystal structure of B16La16O32?
What is the density of B16La16O32?
How many polymorphs of B16La16O32 are known?
What elements does B16La16O32 contain?
Where does the data for B16La16O32 come from?
How It Compares
As a unique ternary oxide, B16La16O32 serves as a specialized structural reference point within the broader landscape of lanthanum-based borate materials, offering a distinct stoichiometric arrangement that distinguishes it from simpler binary or common borate phases.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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