O8Ta2Tb2
O8Ta2Tb2 is a thermodynamically stable, insulating ternary oxide composed of tantalum, terbium, and oxygen.
About O8Ta2Tb2
O8Ta2Tb2 is a complex oxide characterized by its wide-band-gap insulating electronic profile. As a material residing on the thermodynamic convex hull, it exhibits significant structural stability, making it a robust candidate for fundamental research into rare-earth tantalate systems. Its composition integrates the high-density electronic properties of tantalum with the magnetic or optical potential of terbium within an oxygen-coordinated framework. The compound is notable for its structural diversity, with multiple distinct arrangements documented across various crystallographic databases. This versatility suggests that O8Ta2Tb2 plays a critical role in exploring the phase space of ternary metal oxides, where precise atomic ordering dictates its insulating behavior. Its stability ensures that it maintains its structural integrity under standard conditions, providing a reliable platform for investigating dielectric or luminescent applications.
Key Properties
Cross-validated computational properties for O8Ta2Tb2, 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 O8Ta2Tb2, 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. |
|---|---|---|---|---|---|
| P2/c (No. 13) | monoclinic | 4.02 | 0.0000 | -9.780 | 9.04 |
| C2/c (No. 15) | monoclinic | 4.12 | 0.0042 | -9.776 | 9.03 |
| P21/c (No. 14) | monoclinic | 3.67 | 0.0198 | -9.761 | 8.95 |
| — | — | — | — | — | 8.81 |
| P2/c (No. 13) | — | — | — | — | — |
Applications
Where O8Ta2Tb2 is used.
Frequently Asked Questions
Common questions about O8Ta2Tb2, answered from cross-validated data.
What is O8Ta2Tb2?
O8Ta2Tb2 is a thermodynamically stable, insulating ternary oxide composed of tantalum, terbium, and oxygen.
What is O8Ta2Tb2 used for?
What is the band gap of O8Ta2Tb2?
Is O8Ta2Tb2 a metal, semiconductor, or insulator?
Is O8Ta2Tb2 thermodynamically stable?
What is the crystal structure of O8Ta2Tb2?
What is the density of O8Ta2Tb2?
How many polymorphs of O8Ta2Tb2 are known?
What elements does O8Ta2Tb2 contain?
Where does the data for O8Ta2Tb2 come from?
How It Compares
As a member of the ternary oxide family, O8Ta2Tb2 occupies a unique niche due to its confirmed thermodynamic stability. While many complex metal oxides require specific synthesis conditions to stabilize, this compound exists naturally on the convex hull, positioning it as a highly reliable baseline for studying tantalum-terbium interactions compared to more metastable or disordered oxide phases.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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