YO2
Yttrium dioxide is a rare inorganic compound containing yttrium and oxygen. It is primarily studied in the context of high-pressure physics and specialized materials research.
OY
Overview
Key Properties
Cross-validated computational properties for YO2, 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.
0.33 eV
Range across DFT structures
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.
0.182 eV/atom
Best (lowest) across sources
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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
228
3 databases, 23 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for YO2, 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. |
|---|---|---|---|---|---|
| P21/m (No. 11) | monoclinic | 0.00 | 0.1824 | -8.581 | 4.50 |
| C2/c (No. 15) | monoclinic | 0.33 | 0.2812 | -8.482 | 3.85 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.3174 | -8.446 | 3.64 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.3174 | -8.446 | 3.64 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.27 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.70 |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.16 |
| Imma (No. 74) | Orthorhombic | — | — | — | 6.00 |
| Imma (No. 74) | Orthorhombic | — | — | — | 6.37 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 6.27 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 5.55 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 5.87 |
Uses
Applications
Where YO2 is used.
Materials science researchHigh-pressure experimental studies
Reference
Frequently Asked Questions
Common questions about YO2, answered from cross-validated data.
What is YO2?
Yttrium dioxide is a rare inorganic compound containing yttrium and oxygen. It is primarily studied in the context of high-pressure physics and specialized materials research.
More questions
What is YO2 used for?
YO2 is used in materials science research and high-pressure experimental studies.
What is the band gap of YO2?
YO2 has a DFT-computed band gap of 0.33 eV across 228 reported structures.
Is YO2 a metal, semiconductor, or insulator?
With a band gap up to 0.33 eV it is a semiconductor.
Is YO2 thermodynamically stable?
YO2 has a lowest energy above hull of 0.182 eV/atom (above hull).
What is the crystal structure of YO2?
The lowest-energy reported polymorph of YO2 is monoclinic symmetry, space group P21/m (No. 11).
What is the density of YO2?
The computed density of the ground-state structure of YO2 is 4.50 g/cm³.
How many polymorphs of YO2 are known?
228 structures of YO2 are reported across 3 databases, spanning 23 distinct space groups.
What elements does YO2 contain?
YO2 contains O and Y (2 elements).
Where does the data for YO2 come from?
YO2 data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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