B2Ce2O6
B2Ce2O6 is a stable, semimetallic ternary oxide composed of boron, cerium, and oxygen.
About B2Ce2O6
B2Ce2O6 is a complex oxide containing boron and cerium that exists in a thermodynamically stable state on the convex hull. Its electronic character is defined as a near-zero-gap semimetallic material, making it an intriguing subject for research into conductive oxide systems.
Given the existence of multiple reported structures across various databases, this compound represents a well-documented phase within its chemical family. Its unique combination of rare-earth cerium and boron suggests potential utility in specialized electronic or catalytic applications where semimetallic behavior is advantageous.
Key Properties
Cross-validated computational properties for B2Ce2O6, 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 B2Ce2O6, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.06 | 0.0000 | -8.904 | 5.48 |
| P21/m (No. 11) | monoclinic | 0.03 | 0.0059 | -8.899 | 5.29 |
| P21/m (No. 11) | — | — | — | — | — |
| — | — | — | — | — | 4.23 |
Applications
Where B2Ce2O6 is used.
Frequently Asked Questions
Common questions about B2Ce2O6, answered from cross-validated data.
What is B2Ce2O6?
B2Ce2O6 is a stable, semimetallic ternary oxide composed of boron, cerium, and oxygen.
What is B2Ce2O6 used for?
What is the band gap of B2Ce2O6?
Is B2Ce2O6 a metal, semiconductor, or insulator?
Is B2Ce2O6 thermodynamically stable?
What is the crystal structure of B2Ce2O6?
What is the density of B2Ce2O6?
How many polymorphs of B2Ce2O6 are known?
What elements does B2Ce2O6 contain?
Where does the data for B2Ce2O6 come from?
How It Compares
As a thermodynamically stable semimetallic oxide, this compound serves as a distinct reference point for exploring the intersection of boron-based frameworks and rare-earth chemistry, occupying a unique niche in the landscape of complex ternary oxides.
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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