YTa3O9
YTa3O9 is a wide-gap insulating oxide compound that is considered thermodynamically stable and likely synthesizable for material research.
About YTa3O9
YTa3O9 is an insulating ternary oxide composed of yttrium, tantalum, and oxygen. As a wide-gap material, it exhibits electronic properties characteristic of stable dielectric oxides, making it a subject of interest for fundamental materials science investigations.
Its status as a near-hull compound suggests it is likely synthesizable under appropriate experimental conditions. With multiple reported structures across databases, it serves as a valuable entry for researchers exploring the structural diversity of complex tantalate systems.
Key Properties
Cross-validated computational properties for YTa3O9, 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 YTa3O9, 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 | 3.33 | 0.0061 | -10.172 | 7.99 |
| Pnma (No. 62) | orthorhombic | 2.89 | 0.0298 | -10.148 | 8.23 |
| P1 (No. 1) | triclinic | 2.51 | 0.0557 | -10.122 | 6.97 |
| C2/m (No. 12) | monoclinic | 2.32 | 0.0568 | -10.121 | 6.94 |
| P21/m (No. 11) | — | — | — | — | — |
| P21/m (No. 11) | Monoclinic | — | — | — | 8.28 |
| P21/m (No. 11) | Monoclinic | — | — | — | 7.90 |
| P1 (No. 1) | Triclinic | — | — | — | 6.97 |
| P1 (No. 1) | Triclinic | — | — | — | 7.45 |
| P21/m (No. 11) | Monoclinic | — | — | — | 7.73 |
| P1 (No. 1) | Triclinic | — | — | — | 7.13 |
Applications
Where YTa3O9 is used.
Frequently Asked Questions
Common questions about YTa3O9, answered from cross-validated data.
What is YTa3O9?
YTa3O9 is a wide-gap insulating oxide compound that is considered thermodynamically stable and likely synthesizable for material research.
What is YTa3O9 used for?
What is the band gap of YTa3O9?
Is YTa3O9 a metal, semiconductor, or insulator?
Is YTa3O9 thermodynamically stable?
What is the crystal structure of YTa3O9?
What is the density of YTa3O9?
How many polymorphs of YTa3O9 are known?
What elements does YTa3O9 contain?
Where does the data for YTa3O9 come from?
How It Compares
As a unique ternary tantalate, YTa3O9 occupies a distinct position within the landscape of complex oxides, offering a stable framework that warrants further exploration in the context of high-performance ceramic materials.
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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