ZnCoO2
This compound is a mixed metal oxide typically studied for its magnetic and semiconducting properties. It is primarily utilized in advanced materials research to explore potential applications in optoelectronics and spintronics.
Overview
Key Properties
Cross-validated computational properties for ZnCoO2, 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.
0.16–1.01 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.
0.052 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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
35
3 databases, 13 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for ZnCoO2, 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. |
|---|---|---|---|---|---|
| Fd-3m (No. 227) | cubic | 0.00 | 0.0523 | -6.456 | 6.92 |
| R3m (No. 160) | trigonal | 0.00 | 0.0637 | -6.445 | 6.12 |
| P3m1 (No. 156) | trigonal | 0.00 | 0.0641 | -6.444 | 6.06 |
| P3m1 (No. 156) | trigonal | 0.00 | 0.0849 | -6.424 | 6.04 |
| Cm (No. 8) | monoclinic | 0.00 | 0.0917 | -6.417 | 6.44 |
| R-3m (No. 166) | trigonal | 1.01 | 0.1027 | -6.001 | 6.47 |
| Cm (No. 8) | monoclinic | 0.00 | 0.1046 | -6.404 | 6.47 |
| C2/m (No. 12) | monoclinic | 0.93 | 0.1096 | -5.994 | 6.45 |
| C2/m (No. 12) | monoclinic | 0.92 | 0.1141 | -5.990 | 6.54 |
| R-3m (No. 166) | trigonal | 0.00 | 0.1482 | -6.487 | 5.69 |
| Imma (No. 74) | orthorhombic | 0.20 | 0.1586 | -6.350 | 6.07 |
| P-1 (No. 2) | triclinic | 0.00 | 0.1599 | -5.944 | 5.21 |
Uses
Applications
Where ZnCoO2 is used.
Semiconductor researchMagnetic material developmentOptoelectronic device studiesCatalysis research
Reference
Frequently Asked Questions
Common questions about ZnCoO2, answered from cross-validated data.
What is ZnCoO2?
This compound is a mixed metal oxide typically studied for its magnetic and semiconducting properties. It is primarily utilized in advanced materials research to explore potential applications in optoelectronics and spintronics.
More questions
What is ZnCoO2 used for?
ZnCoO2 is used in semiconductor research, magnetic material development, optoelectronic device studies, and catalysis research.
What is the band gap of ZnCoO2?
ZnCoO2 has a DFT-computed band gap of 0.16–1.01 eV across 35 reported structures.
Is ZnCoO2 a metal, semiconductor, or insulator?
With a band gap up to 1.01 eV it is a semiconductor.
Is ZnCoO2 thermodynamically stable?
ZnCoO2 has a lowest energy above hull of 0.052 eV/atom (metastable).
What is the crystal structure of ZnCoO2?
The lowest-energy reported polymorph of ZnCoO2 is cubic symmetry, space group Fd-3m (No. 227).
What is the density of ZnCoO2?
The computed density of the ground-state structure of ZnCoO2 is 6.92 g/cm³.
How many polymorphs of ZnCoO2 are known?
35 structures of ZnCoO2 are reported across 3 databases, spanning 13 distinct space groups.
What elements does ZnCoO2 contain?
ZnCoO2 contains Co, O, and Zn (3 elements).
Where does the data for ZnCoO2 come from?
ZnCoO2 data is cross-referenced from materials_project, mpaloe.
Explore
Related Compounds
Other Oxide Oxygen-Evolution 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.
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