Er2TeO2
Er2TeO2 is a thermodynamically stable semiconducting compound composed of erbium, tellurium, and oxygen.
About Er2TeO2
Er2TeO2 is a complex oxide-telluride compound that exhibits semiconducting electronic behavior. Its position on the thermodynamic convex hull confirms its inherent stability, making it a robust candidate for materials research and structural analysis.
With multiple reported structures across major databases, this compound is a subject of significant interest for researchers mapping the phase space of rare-earth tellurium oxides. Its unique composition allows for versatile interactions, positioning it as a distinct material within the broader landscape of functional inorganic semiconductors.
Key Properties
Cross-validated computational properties for Er2TeO2, 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 Er2TeO2. 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 Er2TeO2, 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. |
|---|---|---|---|---|---|
| — | — | 1.19 | 0.0000 | -3.148 | — |
| I4/mmm (No. 139) | tetragonal | 0.92 | 0.0000 | -7.687 | 8.88 |
| P63/mmc (No. 194) | hexagonal | 0.67 | 0.0000 | -3.095 | — |
| — | — | 1.10 | 0.0006 | -3.147 | — |
| P-3m1 (No. 164) | trigonal | 0.64 | 0.0072 | -3.087 | — |
| P63/mmc (No. 194) | hexagonal | 0.54 | 0.0710 | -7.616 | 8.74 |
| — | — | 0.73 | 0.0726 | -3.075 | — |
| P-3m1 (No. 164) | trigonal | 0.49 | 0.0789 | -7.608 | 8.75 |
| — | — | 0.80 | 0.0796 | -3.068 | — |
| — | — | 0.41 | 1.7025 | -1.445 | — |
| P-3m1 (No. 164) | trigonal | — | — | — | 8.75 |
| P63/mmc (No. 194) | hexagonal | — | — | — | 9.01 |
Applications
Where Er2TeO2 is used.
Frequently Asked Questions
Common questions about Er2TeO2, answered from cross-validated data.
What is Er2TeO2?
Er2TeO2 is a thermodynamically stable semiconducting compound composed of erbium, tellurium, and oxygen.
What is Er2TeO2 used for?
What is the band gap of Er2TeO2?
Is Er2TeO2 a metal, semiconductor, or insulator?
Is Er2TeO2 thermodynamically stable?
What is the crystal structure of Er2TeO2?
What is the density of Er2TeO2?
How many polymorphs of Er2TeO2 are known?
What elements does Er2TeO2 contain?
Where does the data for Er2TeO2 come from?
How It Compares
As a thermodynamically stable semiconducting phase, Er2TeO2 serves as a foundational example of rare-earth telluride oxides. While it currently stands as a unique entry in this specific structural class, its stability and electronic profile provide a critical benchmark for evaluating the properties of related lanthanide-based chalcogenide systems.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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