ErVO4
ErVO4 is a thermodynamically stable semiconducting orthovanadate compound.
About ErVO4
ErVO4 is a thermodynamically stable compound that exists on the convex hull, indicating significant structural robustness. As a semiconducting material, it represents a stable configuration within the rare-earth orthovanadate family, which is frequently investigated for its unique electronic and magnetic properties.
This material is characterized by its structural versatility, as evidenced by its presence across multiple experimental databases. Its stability and semiconducting nature make it a compelling subject for research into functional oxides and potential optoelectronic applications.
Key Properties
Cross-validated computational properties for ErVO4, 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 ErVO4. 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 ErVO4, 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. |
|---|---|---|---|---|---|
| — | — | 3.16 | 0.0000 | -3.138 | — |
| I41/amd (No. 141) | tetragonal | 2.97 | 0.0000 | -8.787 | 6.01 |
| I41/amd (No. 141) | tetragonal | 2.77 | 0.0000 | -3.239 | — |
| I41/a (No. 88) | tetragonal | 2.48 | 0.0119 | -3.227 | — |
| I41/a (No. 88) | tetragonal | 2.72 | 0.0358 | -8.751 | 6.84 |
| — | — | 2.81 | 0.0404 | -3.098 | — |
| — | — | 2.79 | 0.0428 | -3.096 | — |
| — | — | 3.36 | 0.0814 | -3.057 | — |
| I41/amd (No. 141) | tetragonal | — | — | — | 5.93 |
| I41/a (No. 88) | tetragonal | — | — | — | 6.54 |
| I41/amd (No. 141) | tetragonal | — | — | — | 5.79 |
| I41/a (No. 88) | tetragonal | — | — | — | 6.72 |
Synthesis Routes
Literature-extracted synthesis procedures targeting ErVO4.
Applications
Where ErVO4 is used.
Frequently Asked Questions
Common questions about ErVO4, answered from cross-validated data.
What is ErVO4?
ErVO4 is a thermodynamically stable semiconducting orthovanadate compound.
What is ErVO4 used for?
What is the band gap of ErVO4?
Is ErVO4 a metal, semiconductor, or insulator?
Is ErVO4 thermodynamically stable?
What is the crystal structure of ErVO4?
What is the density of ErVO4?
How many polymorphs of ErVO4 are known?
How is ErVO4 synthesized?
What elements does ErVO4 contain?
Where does the data for ErVO4 come from?
How It Compares
As a member of the rare-earth orthovanadate class, ErVO4 serves as a stable representative of this group, demonstrating the characteristic structural integrity found in compounds where a heavy lanthanide is coordinated within a vanadate framework.
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.
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