NdTa3O9
NdTa3O9 is a thermodynamically stable, insulating perovskite oxide used in advanced materials research.
About NdTa3O9
NdTa3O9 is a stable perovskite oxide characterized by its wide-gap insulating behavior. As a member of the complex oxide family, it maintains structural integrity, making it a subject of interest for fundamental materials science studies where electronic insulation is a prerequisite for device performance.
Its presence on the thermodynamic convex hull highlights its stability, distinguishing it as a robust candidate for high-temperature or chemically demanding environments. Researchers utilize this compound to explore the interplay between rare-earth elements and transition metal oxides in lattice-constrained frameworks.
Key Properties
Cross-validated computational properties for NdTa3O9, 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 NdTa3O9, 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 | 3.21 | 0.0000 | -10.039 | 8.23 |
| P-1 (No. 2) | triclinic | 2.32 | 0.0119 | -10.027 | 7.47 |
| C2/m (No. 12) | monoclinic | 2.24 | 0.0200 | -10.018 | 7.42 |
| P-1 (No. 2) | triclinic | 2.41 | 0.0202 | -10.018 | 7.42 |
| Pm (No. 6) | monoclinic | 2.64 | 0.0377 | -10.001 | 7.35 |
| P21/c (No. 14) | monoclinic | 2.63 | 0.0478 | -9.991 | 7.35 |
| P21/m (No. 11) | Monoclinic | — | — | — | 8.03 |
| P21/m (No. 11) | Monoclinic | — | — | — | 8.60 |
| P21/m (No. 11) | Monoclinic | — | — | — | 8.21 |
| P21/m (No. 11) | — | — | — | — | — |
| P21/m (No. 11) | — | — | — | — | — |
Applications
Where NdTa3O9 is used.
Frequently Asked Questions
Common questions about NdTa3O9, answered from cross-validated data.
What is NdTa3O9?
NdTa3O9 is a thermodynamically stable, insulating perovskite oxide used in advanced materials research.
What is NdTa3O9 used for?
What is the band gap of NdTa3O9?
Is NdTa3O9 a metal, semiconductor, or insulator?
Is NdTa3O9 thermodynamically stable?
What is the crystal structure of NdTa3O9?
What is the density of NdTa3O9?
How many polymorphs of NdTa3O9 are known?
What elements does NdTa3O9 contain?
Where does the data for NdTa3O9 come from?
How It Compares
Within the perovskite oxides class.
Unlike the highly conductive or magnetic members of the perovskite class such as LaNiO3 or LaMnO3, NdTa3O9 is defined by its insulating electronic nature. While materials like BaTiO3 are widely utilized for their ferroelectric properties, NdTa3O9 occupies a niche as a stable, wide-gap dielectric component within the broader perovskite structural family.
Related Compounds
Other Perovskite Oxides in the database.
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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