TbVO4
terbium orthovanadate
TbVO4 is a stable, semiconducting rare-earth orthovanadate used in materials science research.
About terbium orthovanadate
TbVO4 is a thermodynamically stable inorganic compound that exists on the convex hull, indicating significant structural robustness. As a semiconducting material, it represents an important member of the rare-earth vanadate family, which are frequently investigated for their unique electronic and magnetic properties. The compound maintains a well-defined crystalline arrangement, reflecting its stability under standard conditions. Its electronic character makes it a subject of interest for researchers exploring functional oxides with specific semiconducting behaviors. By leveraging the interplay between the terbium ions and the vanadate framework, this material serves as a platform for studying complex solid-state interactions.
Key Properties
Cross-validated computational properties for terbium orthovanadate, aggregated across 2 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of TbVO4. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for TbVO4, 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. |
|---|---|---|---|---|---|
| — | — | 3.23 | 0.0000 | -3.025 | — |
| I41/amd (No. 141) | tetragonal | 2.99 | 0.0000 | -8.795 | 5.63 |
| I41/amd (No. 141) | tetragonal | 2.78 | 0.0000 | -3.238 | — |
| — | — | 3.15 | 0.0005 | -3.025 | — |
| I41/amd (No. 141) | tetragonal | 2.79 | 0.0075 | -3.230 | — |
| — | — | 2.96 | 0.0435 | -2.982 | — |
| Fddd (No. 70) | orthorhombic | — | — | — | 5.61 |
| I41/amd (No. 141) | tetragonal | — | — | — | — |
| I41/amd (No. 141) | tetragonal | — | — | — | 5.58 |
| I41/amd (No. 141) | tetragonal | — | — | — | 5.64 |
Synthesis Routes
Literature-extracted synthesis procedures targeting TbVO4.
Applications
Where terbium orthovanadate is used.
Frequently Asked Questions
Common questions about terbium orthovanadate, answered from cross-validated data.
What is TbVO4?
TbVO4 is a stable, semiconducting rare-earth orthovanadate used in materials science research.
What is TbVO4 used for?
What is the band gap of TbVO4?
Is TbVO4 a metal, semiconductor, or insulator?
Is TbVO4 thermodynamically stable?
What is the crystal structure of TbVO4?
What is the density of TbVO4?
How many polymorphs of TbVO4 are known?
How is TbVO4 synthesized?
What elements does TbVO4 contain?
Where does the data for TbVO4 come from?
How It Compares
As a stable rare-earth orthovanadate, TbVO4 functions as a representative example of the broader class of ternary oxides that exhibit semiconducting properties. Unlike more volatile or metastable variants, its position on the convex hull highlights its reliability for experimental synthesis and characterization, serving as a benchmark for understanding how lanthanide substitution influences the electronic landscape of the vanadate lattice.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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