Ce2Ta2O9
Cerium tantalate is a complex oxide material characterized by its structural stability and ceramic properties. It is primarily investigated for its potential utility in advanced electronic components and as a functional material in high-temperature environments.
CeOTa
Overview
Key Properties
Cross-validated computational properties for Ce2Ta2O9, 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.
1.53 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.
0.059 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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ce2Ta2O9, 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/c (No. 14) | monoclinic | 1.53 | 0.0594 | -9.720 | 7.25 |
| P21/c (No. 14) | Monoclinic | — | — | — | 7.25 |
| P21/c (No. 14) | Monoclinic | — | — | — | 7.75 |
| P21/c (No. 14) | Monoclinic | — | — | — | 7.42 |
| C2/m (No. 12) | — | — | — | — | — |
Uses
Applications
Where Ce2Ta2O9 is used.
Dielectric materials researchAdvanced ceramic developmentElectronic component fabrication
Reference
Frequently Asked Questions
Common questions about Ce2Ta2O9, answered from cross-validated data.
What is Ce2Ta2O9?
Cerium tantalate is a complex oxide material characterized by its structural stability and ceramic properties. It is primarily investigated for its potential utility in advanced electronic components and as a functional material in high-temperature environments.
What is Ce2Ta2O9 used for?
Ce2Ta2O9 is used in dielectric materials research, advanced ceramic development, and electronic component fabrication.
What is the band gap of Ce2Ta2O9?
Ce2Ta2O9 has a DFT-computed band gap of 1.53 eV across 5 reported structures.
Is Ce2Ta2O9 a metal, semiconductor, or insulator?
With a band gap up to 1.53 eV it is a semiconductor.
Is Ce2Ta2O9 thermodynamically stable?
Ce2Ta2O9 has a lowest energy above hull of 0.059 eV/atom (metastable).
What is the crystal structure of Ce2Ta2O9?
The lowest-energy reported polymorph of Ce2Ta2O9 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Ce2Ta2O9?
The computed density of the ground-state structure of Ce2Ta2O9 is 7.25 g/cm³.
How many polymorphs of Ce2Ta2O9 are known?
5 structures of Ce2Ta2O9 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Ce2Ta2O9 contain?
Ce2Ta2O9 contains Ce, O, and Ta (3 elements).
Where does the data for Ce2Ta2O9 come from?
Ce2Ta2O9 data is cross-referenced from materials_project, mpaloe, jarvis.
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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