YBO3
Yttrium orthoborate · Yttrium borate
Yttrium orthoborate is a stable, insulating crystalline compound frequently employed as a host material for phosphors in lighting and display technologies.
About Yttrium orthoborate
Yttrium orthoborate is a thermodynamically stable inorganic compound that functions as a wide-gap insulator. Its robust crystal structure and electronic properties make it a highly reliable host lattice for various luminescent dopants in solid-state lighting and display technologies.
Due to its chemical stability and structural versatility, this material is widely utilized in the synthesis of high-performance phosphors. It remains a significant subject of research within materials science, supported by numerous reported structural variations that allow for precise tuning of its optical performance.
Key Properties
Cross-validated computational properties for Yttrium orthoborate, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of YBO3. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for YBO3, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 5.33 | 0.0000 | -3.348 | — |
| — | — | 5.33 | 0.0000 | -3.367 | — |
| Cmcm (No. 63) | orthorhombic | 5.17 | 0.0000 | -9.129 | 4.50 |
| — | — | 5.50 | 0.0099 | -3.357 | — |
| — | — | 5.35 | 0.0249 | -3.342 | — |
| — | — | 5.54 | 0.0311 | -3.336 | — |
| Pnma (No. 62) | orthorhombic | 4.80 | 0.0363 | -9.092 | 3.95 |
| Cmcm (No. 63) | orthorhombic | 4.23 | 0.0497 | -9.079 | 3.92 |
| — | — | 5.18 | 0.0571 | -3.310 | — |
| — | — | 4.89 | 0.0710 | -3.296 | — |
| Ama2 (No. 40) | orthorhombic | 4.40 | 0.0765 | -9.052 | 3.98 |
| — | — | 0.00 | 0.0773 | -3.290 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting YBO3.
Applications
Where Yttrium orthoborate is used.
Frequently Asked Questions
Common questions about Yttrium orthoborate, answered from cross-validated data.
What is YBO3?
Yttrium orthoborate is a stable, insulating crystalline compound frequently employed as a host material for phosphors in lighting and display technologies.
What is YBO3 used for?
What is the band gap of YBO3?
Is YBO3 a metal, semiconductor, or insulator?
Is YBO3 thermodynamically stable?
What is the crystal structure of YBO3?
What is the density of YBO3?
How many polymorphs of YBO3 are known?
How is YBO3 synthesized?
What elements does YBO3 contain?
Where does the data for YBO3 come from?
How It Compares
As a prominent member of the borate family, Yttrium orthoborate is recognized for its exceptional thermodynamic stability and structural flexibility, which allows it to serve as a foundational platform for developing advanced optical materials compared to less stable or more reactive borate counterparts.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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