CaTa2O6
calcium tantalate · calcium ditantalate
Calcium tantalate is a complex oxide ceramic material known for its structural stability and dielectric properties. It is primarily utilized in the development of advanced electronic components and as a precursor in the synthesis of specialized ceramic materials.
Key Properties
Cross-validated computational properties for calcium tantalate, 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 CaTa2O6, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 3.47 | 0.0000 | -9.639 | 7.37 |
| Pm-3 (No. 200) | cubic | 2.44 | 0.0724 | -9.567 | 6.82 |
| Fm-3m (No. 225) | cubic | 2.10 | 0.0986 | -9.541 | 6.62 |
| Pm-3 (No. 200) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Fm-3m (No. 225) | Cubic | — | — | — | 6.62 |
| Fm-3m (No. 225) | Cubic | — | — | — | 6.77 |
| Fm-3m (No. 225) | Cubic | — | — | — | 7.04 |
Applications
Where calcium tantalate is used.
Frequently Asked Questions
Common questions about calcium tantalate, answered from cross-validated data.
What is CaTa2O6?
Calcium tantalate is a complex oxide ceramic material known for its structural stability and dielectric properties. It is primarily utilized in the development of advanced electronic components and as a precursor in the synthesis of specialized ceramic materials.
What is CaTa2O6 used for?
What is the band gap of CaTa2O6?
Is CaTa2O6 a metal, semiconductor, or insulator?
Is CaTa2O6 thermodynamically stable?
What is the crystal structure of CaTa2O6?
What is the density of CaTa2O6?
How many polymorphs of CaTa2O6 are known?
What elements does CaTa2O6 contain?
Where does the data for CaTa2O6 come from?
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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