TbO3
Terbium trioxide is a rare earth oxide compound containing terbium in a higher oxidation state. It is primarily studied for its potential roles in advanced electronic materials and specialized catalytic processes.
OTb
Overview
Key Properties
Cross-validated computational properties for TbO3, 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.
0.16 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.
0.444 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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for TbO3, 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. |
|---|---|---|---|---|---|
| P63/m (No. 176) | hexagonal | 0.16 | 0.4438 | -6.915 | 5.36 |
| Pm (No. 6) | Monoclinic | — | — | — | 4.46 |
| Pm (No. 6) | Monoclinic | — | — | — | 6.55 |
| P1 (No. 1) | Triclinic | — | — | — | 7.52 |
| P63/m (No. 176) | — | — | — | — | — |
Uses
Applications
Where TbO3 is used.
Catalysis researchElectronic material developmentMagnetic material studies
Reference
Frequently Asked Questions
Common questions about TbO3, answered from cross-validated data.
What is TbO3?
Terbium trioxide is a rare earth oxide compound containing terbium in a higher oxidation state. It is primarily studied for its potential roles in advanced electronic materials and specialized catalytic processes.
More questions
What is TbO3 used for?
TbO3 is used in catalysis research, electronic material development, and magnetic material studies.
What is the band gap of TbO3?
TbO3 has a DFT-computed band gap of 0.16 eV across 5 reported structures.
Is TbO3 a metal, semiconductor, or insulator?
With a band gap up to 0.16 eV it is a semiconductor.
Is TbO3 thermodynamically stable?
TbO3 has a lowest energy above hull of 0.444 eV/atom (above hull).
What is the crystal structure of TbO3?
The lowest-energy reported polymorph of TbO3 is hexagonal symmetry, space group P63/m (No. 176).
What is the density of TbO3?
The computed density of the ground-state structure of TbO3 is 5.36 g/cm³.
How many polymorphs of TbO3 are known?
5 structures of TbO3 are reported across 3 databases, spanning 3 distinct space groups.
What elements does TbO3 contain?
TbO3 contains O and Tb (2 elements).
Where does the data for TbO3 come from?
TbO3 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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