Ca2Ta2O7
Ca2Ta2O7 is a stable, wide-gap insulating perovskite oxide used in advanced materials research for its structural reliability.
About Ca2Ta2O7
Ca2Ta2O7 is a thermodynamically stable perovskite oxide that exhibits characteristic wide-gap insulating behavior. As a member of the complex oxide family, it maintains a robust structural framework that makes it a significant subject for fundamental materials science research. Its presence on the convex hull underscores its inherent stability, providing a reliable platform for studying oxide-based electronic properties. The compound has been extensively documented across multiple structural databases, reflecting its importance in the study of perovskite-related phases. Its insulating nature and structural integrity are central to its utility in specialized electronic and dielectric applications where stable, non-conductive oxide layers are required.
Key Properties
Cross-validated computational properties for Ca2Ta2O7, 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 Ca2Ta2O7, 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. |
|---|---|---|---|---|---|
| C2 (No. 5) | monoclinic | 3.35 | 0.0000 | -9.154 | 6.31 |
| C2221 (No. 20) | orthorhombic | 3.46 | 0.0002 | -9.154 | 6.31 |
| Fd-3m (No. 227) | cubic | 2.30 | 0.0008 | -9.154 | 6.45 |
| Fd-3m (No. 227) | — | — | — | — | — |
| Fd-3m (No. 227) | Cubic | — | — | — | 6.29 |
| Fd-3m (No. 227) | Cubic | — | — | — | 6.65 |
| Fd-3m (No. 227) | Cubic | — | — | — | 6.43 |
Applications
Where Ca2Ta2O7 is used.
Frequently Asked Questions
Common questions about Ca2Ta2O7, answered from cross-validated data.
What is Ca2Ta2O7?
Ca2Ta2O7 is a stable, wide-gap insulating perovskite oxide used in advanced materials research for its structural reliability.
What is Ca2Ta2O7 used for?
What is the band gap of Ca2Ta2O7?
Is Ca2Ta2O7 a metal, semiconductor, or insulator?
Is Ca2Ta2O7 thermodynamically stable?
What is the crystal structure of Ca2Ta2O7?
What is the density of Ca2Ta2O7?
How many polymorphs of Ca2Ta2O7 are known?
What elements does Ca2Ta2O7 contain?
Where does the data for Ca2Ta2O7 come from?
How It Compares
Within the perovskite oxides class.
Unlike the highly active, transition-metal-rich perovskites such as LaNiO3 or LaMnO3, which are often studied for their metallic or magnetic properties, Ca2Ta2O7 serves as a stable, insulating counterpart. While siblings like BaTiO3 are widely utilized for their ferroelectric properties, Ca2Ta2O7 is distinguished by its structural stability and wide electronic gap, positioning it as a foundational material for applications requiring high dielectric performance without the complex electronic transitions found in its magnetic-active peers.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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