Er2TeO2
Erbium tellurium oxide is an inorganic compound composed of erbium, tellurium, and oxygen. It is primarily studied in materials science research for its structural properties and potential roles in advanced electronic or optical materials.
ErOTe
Overview
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.
0.49–0.60 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
11
3 databases, 3 space groups
Crystallography
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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 0.60 | 0.0000 | -7.772 | 8.88 |
| P63/mmc (No. 194) | hexagonal | 0.54 | 0.0710 | -7.701 | 8.74 |
| P-3m1 (No. 164) | trigonal | 0.49 | 0.0789 | -7.693 | 8.75 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 8.75 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 9.01 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 8.88 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 8.74 |
| P63/mmc (No. 194) | — | — | — | — | — |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 9.01 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 8.88 |
| P-3m1 (No. 164) | — | — | — | — | — |
Uses
Applications
Where Er2TeO2 is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about Er2TeO2, answered from cross-validated data.
What is Er2TeO2?
Erbium tellurium oxide is an inorganic compound composed of erbium, tellurium, and oxygen. It is primarily studied in materials science research for its structural properties and potential roles in advanced electronic or optical materials.
More questions
What is Er2TeO2 used for?
Er2TeO2 is used in materials science research and solid-state chemistry studies.
What is the band gap of Er2TeO2?
Er2TeO2 has a DFT-computed band gap of 0.49–0.60 eV across 11 reported structures.
Is Er2TeO2 a metal, semiconductor, or insulator?
With a band gap up to 0.60 eV it is a semiconductor.
Is Er2TeO2 thermodynamically stable?
Yes — Er2TeO2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Er2TeO2?
The lowest-energy reported polymorph of Er2TeO2 is tetragonal symmetry, space group I4/mmm (No. 139).
What is the density of Er2TeO2?
The computed density of the ground-state structure of Er2TeO2 is 8.88 g/cm³.
How many polymorphs of Er2TeO2 are known?
11 structures of Er2TeO2 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Er2TeO2 contain?
Er2TeO2 contains Er, O, and Te (3 elements).
Where does the data for Er2TeO2 come from?
Er2TeO2 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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