NdVO4
Neodymium orthovanadate · Neodymium vanadate
Neodymium orthovanadate is a stable insulating oxide primarily used in the development of laser host materials and advanced optical phosphors.
About Neodymium orthovanadate
Neodymium orthovanadate is a thermodynamically stable oxide that functions as a wide-gap insulator. Its robust structural integrity and electronic properties make it a subject of significant interest for researchers exploring complex metal oxides with specific optical and magnetic functionalities.
This compound is primarily utilized in the development of specialized laser materials and phosphors. Its ability to host rare-earth ions within a stable lattice framework allows for efficient light emission, positioning it as a valuable component in photonics and high-performance optical applications.
Key Properties
Cross-validated computational properties for Neodymium orthovanadate, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of NdVO4. 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 NdVO4, 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. |
|---|---|---|---|---|---|
| — | — | 3.19 | 0.0000 | -3.099 | — |
| I41/amd (No. 141) | tetragonal | 3.02 | 0.0000 | -8.783 | 4.93 |
| I41/amd (No. 141) | tetragonal | 2.82 | 0.0000 | -3.184 | — |
| — | — | 2.20 | 0.1291 | -2.970 | — |
| I41/amd (No. 141) | tetragonal | — | — | — | 4.98 |
| I41/amd (No. 141) | tetragonal | — | — | — | 4.78 |
| I41/amd (No. 141) | tetragonal | — | — | — | 4.93 |
| I41/amd (No. 141) | tetragonal | — | — | — | 5.23 |
| I41/amd (No. 141) | tetragonal | — | — | — | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting NdVO4.
Applications
Where Neodymium orthovanadate is used.
Frequently Asked Questions
Common questions about Neodymium orthovanadate, answered from cross-validated data.
What is NdVO4?
Neodymium orthovanadate is a stable insulating oxide primarily used in the development of laser host materials and advanced optical phosphors.
What is NdVO4 used for?
What is the band gap of NdVO4?
Is NdVO4 a metal, semiconductor, or insulator?
Is NdVO4 thermodynamically stable?
What is the crystal structure of NdVO4?
What is the density of NdVO4?
How many polymorphs of NdVO4 are known?
How is NdVO4 synthesized?
What elements does NdVO4 contain?
Where does the data for NdVO4 come from?
How It Compares
As a stable orthovanadate, this compound serves as a foundational material within the broader family of rare-earth vanadates. It is characterized by its high structural reliability, which allows it to maintain consistent performance in demanding optical environments compared to less stable or more defect-prone members of the oxide class.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze NdVO4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →