ErTaO4
ErTaO4 is a stable, insulating oxide material characterized by its robust structural properties and wide electronic band gap.
About ErTaO4
ErTaO4 is a complex oxide composed of erbium, tantalum, and oxygen. As a thermodynamically stable phase located directly on the convex hull, it represents a robust structural configuration that maintains its integrity under standard conditions.
This material functions as a wide-band-gap insulator, making it an interesting candidate for applications requiring dielectric stability. With multiple reported crystal structures across various databases, it is a well-documented compound that offers significant structural versatility for researchers.
Key Properties
Cross-validated computational properties for ErTaO4, 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 ErTaO4. 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 ErTaO4, 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. |
|---|---|---|---|---|---|
| — | — | 4.29 | 0.0000 | -3.559 | — |
| P2/c (No. 13) | monoclinic | 4.06 | 0.0000 | -3.527 | — |
| P2/c (No. 13) | monoclinic | 4.02 | 0.0000 | -9.780 | 9.51 |
| C2/c (No. 15) | monoclinic | 4.05 | 0.0040 | -9.776 | 9.53 |
| C2/c (No. 15) | monoclinic | 4.07 | 0.0041 | -3.523 | — |
| — | — | 4.13 | 0.0079 | -3.551 | — |
| — | — | 4.60 | 0.1084 | -3.451 | — |
| P2/c (No. 13) | monoclinic | — | — | — | 9.38 |
| P2/c (No. 13) | monoclinic | — | — | — | 9.22 |
| C2/c (No. 15) | monoclinic | — | — | — | 9.25 |
| P2/c (No. 13) | monoclinic | — | — | — | 9.74 |
| P2/c (No. 13) | monoclinic | — | — | — | 9.37 |
Applications
Where ErTaO4 is used.
Frequently Asked Questions
Common questions about ErTaO4, answered from cross-validated data.
What is ErTaO4?
ErTaO4 is a stable, insulating oxide material characterized by its robust structural properties and wide electronic band gap.
What is ErTaO4 used for?
What is the band gap of ErTaO4?
Is ErTaO4 a metal, semiconductor, or insulator?
Is ErTaO4 thermodynamically stable?
What is the crystal structure of ErTaO4?
How many polymorphs of ErTaO4 are known?
What elements does ErTaO4 contain?
Where does the data for ErTaO4 come from?
How It Compares
As a stable oxide within its chemical family, ErTaO4 serves as a benchmark for structural reliability. Its position on the convex hull ensures it remains a primary focus for studies involving rare-earth tantalates, providing a foundational reference point for understanding the phase behavior of similar complex oxides.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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 ErTaO4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →