Y2V2O7
Yttrium pyrovanadate · YVO
Yttrium pyrovanadate is a complex oxide material that belongs to the pyrochlore family. It is primarily studied for its magnetic properties and potential utility in advanced electronic and optical technologies.
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Overview
Key Properties
Cross-validated computational properties for Yttrium pyrovanadate, 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.
0.49 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.
0.012 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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
12
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Y2V2O7, 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. |
|---|---|---|---|---|---|
| Fd-3m (No. 227) | cubic | 0.00 | 0.0120 | -9.193 | 5.19 |
| C2/m (No. 12) | monoclinic | 0.49 | 0.0824 | -9.123 | 3.94 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.6698 | -8.535 | 4.96 |
| Fd-3m (No. 227) | — | — | — | — | — |
| Fd-3m (No. 227) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Fd-3m (No. 227) | Cubic | — | — | — | 4.99 |
| Fd-3m (No. 227) | Cubic | — | — | — | 5.45 |
| Fd-3m (No. 227) | Cubic | — | — | — | 5.19 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.94 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.29 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.09 |
Uses
Applications
Where Yttrium pyrovanadate is used.
Magnetic materials researchCatalysisOptical materials development
Reference
Frequently Asked Questions
Common questions about Yttrium pyrovanadate, answered from cross-validated data.
What is Y2V2O7?
Yttrium pyrovanadate is a complex oxide material that belongs to the pyrochlore family. It is primarily studied for its magnetic properties and potential utility in advanced electronic and optical technologies.
More questions
What is Y2V2O7 used for?
Yttrium pyrovanadate (Y2V2O7) is used in magnetic materials research, catalysis, and optical materials development.
What is the band gap of Y2V2O7?
Yttrium pyrovanadate (Y2V2O7) has a DFT-computed band gap of 0.49 eV across 12 reported structures.
Is Y2V2O7 a metal, semiconductor, or insulator?
With a band gap up to 0.49 eV it is a semiconductor.
Is Y2V2O7 thermodynamically stable?
Yttrium pyrovanadate (Y2V2O7) has a lowest energy above hull of 0.012 eV/atom (near hull (likely stable)).
What is the crystal structure of Y2V2O7?
The lowest-energy reported polymorph of Yttrium pyrovanadate (Y2V2O7) is cubic symmetry, space group Fd-3m (No. 227).
What is the density of Y2V2O7?
The computed density of the ground-state structure of Yttrium pyrovanadate (Y2V2O7) is 5.19 g/cm³.
How many polymorphs of Y2V2O7 are known?
12 structures of Y2V2O7 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Y2V2O7 contain?
Yttrium pyrovanadate (Y2V2O7) contains O, V, and Y (3 elements).
Where does the data for Y2V2O7 come from?
Y2V2O7 data is cross-referenced from materials_project, jarvis, mpaloe.
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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