CuTeO4
Copper tellurate is an inorganic compound composed of copper, tellurium, and oxygen. It is primarily studied for its structural properties in solid-state chemistry and its potential role in advanced materials research.
Overview
Key Properties
Cross-validated computational properties for CuTeO4, 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.
0.39 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.
18
3 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for CuTeO4, 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. |
|---|---|---|---|---|---|
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.0000 | -5.743 | 5.48 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.0067 | -5.736 | 6.32 |
| P2/m (No. 10) | monoclinic | 0.00 | 0.0291 | -5.714 | 5.07 |
| Imma (No. 74) | orthorhombic | 0.39 | 0.0868 | -5.656 | 5.09 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.1811 | -5.562 | 4.65 |
| Imma (No. 74) | Orthorhombic | — | — | — | 5.09 |
| Imma (No. 74) | Orthorhombic | — | — | — | 5.52 |
| P21/c (No. 14) | Monoclinic | — | — | — | 6.61 |
| P2/m (No. 10) | Monoclinic | — | — | — | 5.07 |
| P2/m (No. 10) | Monoclinic | — | — | — | 5.25 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 5.70 |
| Imma (No. 74) | Orthorhombic | — | — | — | 5.27 |
Uses
Applications
Where CuTeO4 is used.
Materials science researchSolid-state chemistry studiesCatalysis research
Reference
Frequently Asked Questions
Common questions about CuTeO4, answered from cross-validated data.
What is CuTeO4?
Copper tellurate is an inorganic compound composed of copper, tellurium, and oxygen. It is primarily studied for its structural properties in solid-state chemistry and its potential role in advanced materials research.
More questions
What is CuTeO4 used for?
CuTeO4 is used in materials science research, solid-state chemistry studies, and catalysis research.
What is the band gap of CuTeO4?
CuTeO4 has a DFT-computed band gap of 0.39 eV across 18 reported structures.
Is CuTeO4 a metal, semiconductor, or insulator?
With a band gap up to 0.39 eV it is a semiconductor.
Is CuTeO4 thermodynamically stable?
Yes — CuTeO4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of CuTeO4?
The lowest-energy reported polymorph of CuTeO4 is orthorhombic symmetry, space group Cmmm (No. 65).
What is the density of CuTeO4?
The computed density of the ground-state structure of CuTeO4 is 5.48 g/cm³.
How many polymorphs of CuTeO4 are known?
18 structures of CuTeO4 are reported across 3 databases, spanning 4 distinct space groups.
What elements does CuTeO4 contain?
CuTeO4 contains Cu, O, and Te (3 elements).
Where does the data for CuTeO4 come from?
CuTeO4 data is cross-referenced from materials_project, mpaloe, jarvis.
Explore
Related Compounds
Other Spinel Oxide Catalysts in the database.
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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