YMoO3
YMoO3 is a metastable semiconducting oxide containing yttrium and molybdenum that is studied for its diverse structural configurations.
About YMoO3
YMoO3 is a complex oxide composed of yttrium, molybdenum, and oxygen. As a semiconducting material, it represents a unique intersection of transition metal chemistry and rare-earth elements, offering intriguing electronic properties that are the subject of ongoing structural investigation. Its metastable nature suggests that its synthesis requires precise control over processing conditions to stabilize its specific atomic arrangement. The existence of multiple reported structures highlights its structural flexibility and the complexity involved in mapping its potential phase space. This compound is of significant interest for researchers exploring novel semiconducting oxides for next-generation electronic and optoelectronic devices. Its ability to adopt various configurations makes it a compelling candidate for fundamental studies into how structural variations influence electronic behavior in ternary oxide systems.
Key Properties
Cross-validated computational properties for YMoO3, 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 YMoO3, 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 | 2.22 | 0.0296 | -9.328 | 6.29 |
| P63cm (No. 185) | hexagonal | 0.00 | 0.1794 | -9.178 | 5.41 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.2278 | -9.130 | 5.36 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.6047 | -8.753 | 5.66 |
| P63cm (No. 185) | Hexagonal | — | — | — | 5.41 |
| P63cm (No. 185) | Hexagonal | — | — | — | 6.37 |
| P63cm (No. 185) | Hexagonal | — | — | — | 5.88 |
| Pm-3m (No. 221) | — | — | — | — | — |
| P63cm (No. 185) | — | — | — | — | — |
| Pnma (No. 62) | Orthorhombic | — | — | — | 6.67 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 6.27 |
| P63/mmc (No. 194) | — | — | — | — | — |
Applications
Where YMoO3 is used.
Frequently Asked Questions
Common questions about YMoO3, answered from cross-validated data.
What is YMoO3?
YMoO3 is a metastable semiconducting oxide containing yttrium and molybdenum that is studied for its diverse structural configurations.
What is YMoO3 used for?
What is the band gap of YMoO3?
Is YMoO3 a metal, semiconductor, or insulator?
Is YMoO3 thermodynamically stable?
What is the crystal structure of YMoO3?
What is the density of YMoO3?
How many polymorphs of YMoO3 are known?
What elements does YMoO3 contain?
Where does the data for YMoO3 come from?
How It Compares
As a distinct ternary oxide, YMoO3 occupies a specialized niche within the broader landscape of molybdenum-based semiconductors, serving as a primary subject for understanding how yttrium incorporation modifies the electronic landscape of the molybdate framework.
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).
Analyze YMoO3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →