YBO2
YBO2 is an insulating yttrium-based oxide that is considered a viable candidate for experimental synthesis due to its favorable thermodynamic stability.
About YBO2
YBO2 is an insulating ternary oxide characterized by a wide electronic band gap. Its structural versatility is evidenced by its presence in multiple crystallographic databases, reflecting a complex landscape of potential atomic arrangements.
As a near-hull material, YBO2 is considered a promising candidate for experimental synthesis. Its stability profile suggests it could serve as a foundational building block in specialized ceramic or optical materials research.
Key Properties
Cross-validated computational properties for YBO2, 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 YBO2, 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 | 5.45 | 0.0074 | -8.776 | 5.70 |
| Pca21 (No. 29) | orthorhombic | 5.30 | 0.0291 | -8.755 | 6.26 |
| R3c (No. 161) | trigonal | 0.16 | 0.1250 | -8.220 | 4.73 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.03 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.13 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.80 |
| P4mm (No. 99) | — | — | — | — | — |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 4.84 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.80 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 4.83 |
Applications
Where YBO2 is used.
Frequently Asked Questions
Common questions about YBO2, answered from cross-validated data.
What is YBO2?
YBO2 is an insulating yttrium-based oxide that is considered a viable candidate for experimental synthesis due to its favorable thermodynamic stability.
What is YBO2 used for?
What is the band gap of YBO2?
Is YBO2 a metal, semiconductor, or insulator?
Is YBO2 thermodynamically stable?
What is the crystal structure of YBO2?
What is the density of YBO2?
How many polymorphs of YBO2 are known?
What elements does YBO2 contain?
Where does the data for YBO2 come from?
How It Compares
As a relatively distinct ternary oxide, YBO2 represents an intriguing case study in boron-yttrium chemistry. Without many direct structural analogs in its immediate class, it stands out as a unique target for exploring the interplay between rare-earth cations and borate-like anionic frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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