Te2O5
Tellurium pentoxide is a binary inorganic compound of tellurium and oxygen. It is primarily studied for its role in solid-state chemistry and as a precursor in the synthesis of more complex tellurite materials.
OTe
Overview
Key Properties
Cross-validated computational properties for Te2O5, 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.
1.68 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.
17
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Te2O5, 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. |
|---|---|---|---|---|---|
| P21 (No. 4) | monoclinic | 1.68 | 0.0000 | -5.850 | 5.66 |
| P21 (No. 4) | Monoclinic | — | — | — | 5.29 |
| P1 (No. 1) | Triclinic | — | — | — | 4.41 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.55 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.46 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.01 |
| P1 (No. 1) | Triclinic | — | — | — | 4.72 |
| P21 (No. 4) | Monoclinic | — | — | — | 5.83 |
| P21 (No. 4) | Monoclinic | — | — | — | 5.50 |
| P21 (No. 4) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 4.35 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.68 |
Uses
Applications
Where Te2O5 is used.
Materials science researchPrecursor for tellurite synthesisSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about Te2O5, answered from cross-validated data.
What is Te2O5?
Tellurium pentoxide is a binary inorganic compound of tellurium and oxygen. It is primarily studied for its role in solid-state chemistry and as a precursor in the synthesis of more complex tellurite materials.
More questions
What is Te2O5 used for?
Te2O5 is used in materials science research, precursor for tellurite synthesis, and solid-state chemistry studies.
What is the band gap of Te2O5?
Te2O5 has a DFT-computed band gap of 1.68 eV across 17 reported structures.
Is Te2O5 a metal, semiconductor, or insulator?
With a band gap up to 1.68 eV it is a semiconductor.
Is Te2O5 thermodynamically stable?
Yes — Te2O5 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Te2O5?
The lowest-energy reported polymorph of Te2O5 is monoclinic symmetry, space group P21 (No. 4).
What is the density of Te2O5?
The computed density of the ground-state structure of Te2O5 is 5.66 g/cm³.
How many polymorphs of Te2O5 are known?
17 structures of Te2O5 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Te2O5 contain?
Te2O5 contains O and Te (2 elements).
Where does the data for Te2O5 come from?
Te2O5 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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