Y2Mo2O7
Y2Mo2O7 is a thermodynamically stable, semiconducting ternary oxide of yttrium and molybdenum.
About Y2Mo2O7
Y2Mo2O7 is a complex oxide composed of yttrium, molybdenum, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that is well-represented in structural databases. Its semiconducting electronic character makes it an intriguing candidate for investigation in condensed matter physics and materials science. The material is often studied for its intricate magnetic and electronic interactions, which arise from the unique arrangement of its constituent ions within the crystal lattice. Its stability suggests potential for integration into functional devices where reliable performance under varying conditions is required.
Key Properties
Cross-validated computational properties for Y2Mo2O7, 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 Y2Mo2O7, 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. |
|---|---|---|---|---|---|
| I41/a (No. 88) | tetragonal | 1.65 | 0.0000 | -9.242 | 5.91 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0130 | -9.229 | 5.65 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.3614 | -8.275 | 4.90 |
| Fd-3m (No. 227) | — | — | — | — | — |
| I41/a (No. 88) | Tetragonal | — | — | — | 5.64 |
| I41/a (No. 88) | Tetragonal | — | — | — | 6.32 |
| Fd-3m (No. 227) | — | — | — | — | — |
| I41/a (No. 88) | Tetragonal | — | — | — | 5.92 |
Applications
Where Y2Mo2O7 is used.
Frequently Asked Questions
Common questions about Y2Mo2O7, answered from cross-validated data.
What is Y2Mo2O7?
Y2Mo2O7 is a thermodynamically stable, semiconducting ternary oxide of yttrium and molybdenum.
What is Y2Mo2O7 used for?
What is the band gap of Y2Mo2O7?
Is Y2Mo2O7 a metal, semiconductor, or insulator?
Is Y2Mo2O7 thermodynamically stable?
What is the crystal structure of Y2Mo2O7?
What is the density of Y2Mo2O7?
How many polymorphs of Y2Mo2O7 are known?
What elements does Y2Mo2O7 contain?
Where does the data for Y2Mo2O7 come from?
How It Compares
As a distinct oxide, Y2Mo2O7 serves as a foundational example of complex molybdenum-based ceramics. While it occupies a unique position in the landscape of ternary oxides, it provides a critical benchmark for understanding how yttrium and molybdenum interact to dictate electronic behavior in stable, non-metallic systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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