YHO2
Yttrium oxide hydroxide is an inorganic compound that serves as a precursor in the synthesis of various yttrium-based materials. It is primarily utilized in the development of specialized ceramics, phosphors, and catalytic materials.
HOY
Overview
Key Properties
Cross-validated computational properties for YHO2, 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.
4.05–4.84 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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
22
3 databases, 6 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for YHO2, 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 | 4.05 | 0.0000 | -7.915 | 4.60 |
| Pnma (No. 62) | orthorhombic | 4.64 | 0.0200 | -7.895 | 4.12 |
| Pmn21 (No. 31) | orthorhombic | 4.84 | 0.0332 | -7.882 | 4.40 |
| P63/mmc (No. 194) | hexagonal | 4.21 | 0.1177 | -7.798 | 4.17 |
| Pmn21 (No. 31) | Orthorhombic | — | — | — | 4.29 |
| P21/m (No. 11) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 4.23 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 4.06 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.52 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.46 |
| P4mm (No. 99) | — | — | — | — | — |
Uses
Applications
Where YHO2 is used.
Ceramic manufacturingPhosphor productionCatalysis researchPrecursor for yttrium oxide
Reference
Frequently Asked Questions
Common questions about YHO2, answered from cross-validated data.
What is YHO2?
Yttrium oxide hydroxide is an inorganic compound that serves as a precursor in the synthesis of various yttrium-based materials. It is primarily utilized in the development of specialized ceramics, phosphors, and catalytic materials.
More questions
What is YHO2 used for?
YHO2 is used in ceramic manufacturing, phosphor production, catalysis research, and precursor for yttrium oxide.
What is the band gap of YHO2?
YHO2 has a DFT-computed band gap of 4.05–4.84 eV across 22 reported structures.
Is YHO2 a metal, semiconductor, or insulator?
With a wide band gap up to 4.84 eV it is an insulator / wide-band-gap material.
Is YHO2 thermodynamically stable?
Yes — YHO2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of YHO2?
The lowest-energy reported polymorph of YHO2 is monoclinic symmetry, space group P21/m (No. 11).
What is the density of YHO2?
The computed density of the ground-state structure of YHO2 is 4.60 g/cm³.
How many polymorphs of YHO2 are known?
22 structures of YHO2 are reported across 3 databases, spanning 6 distinct space groups.
What elements does YHO2 contain?
YHO2 contains H, O, and Y (3 elements).
Where does the data for YHO2 come from?
YHO2 data is cross-referenced from materials_project, mpaloe, jarvis.
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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