ZnCoO3
This compound is a complex oxide containing zinc and cobalt. It is primarily studied in materials science research for its potential magnetic and electronic properties in advanced functional devices.
Overview
Key Properties
Cross-validated computational properties for ZnCoO3, 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.
0.21 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.
0.056 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.
15
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for ZnCoO3, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 0.21 | 0.0561 | -5.974 | 5.53 |
| R-3 (No. 148) | trigonal | 0.00 | 0.0821 | -5.948 | 5.92 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.1771 | -5.853 | 6.27 |
| C2/c (No. 15) | — | — | — | — | — |
| R-3 (No. 148) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 5.53 |
| R-3 (No. 148) | Trigonal | — | — | — | 5.92 |
| C2/c (No. 15) | Monoclinic | — | — | — | 5.89 |
| R-3 (No. 148) | Trigonal | — | — | — | 6.29 |
| C2/c (No. 15) | Monoclinic | — | — | — | 5.72 |
| R-3 (No. 148) | Trigonal | — | — | — | 6.10 |
Uses
Applications
Where ZnCoO3 is used.
Materials science researchCatalysis studiesMagnetic material development
Reference
Frequently Asked Questions
Common questions about ZnCoO3, answered from cross-validated data.
What is ZnCoO3?
This compound is a complex oxide containing zinc and cobalt. It is primarily studied in materials science research for its potential magnetic and electronic properties in advanced functional devices.
More questions
What is ZnCoO3 used for?
ZnCoO3 is used in materials science research, catalysis studies, and magnetic material development.
What is the band gap of ZnCoO3?
ZnCoO3 has a DFT-computed band gap of 0.21 eV across 15 reported structures.
Is ZnCoO3 a metal, semiconductor, or insulator?
With a band gap up to 0.21 eV it is a semiconductor.
Is ZnCoO3 thermodynamically stable?
ZnCoO3 has a lowest energy above hull of 0.056 eV/atom (metastable).
What is the crystal structure of ZnCoO3?
The lowest-energy reported polymorph of ZnCoO3 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of ZnCoO3?
The computed density of the ground-state structure of ZnCoO3 is 5.53 g/cm³.
How many polymorphs of ZnCoO3 are known?
15 structures of ZnCoO3 are reported across 3 databases, spanning 3 distinct space groups.
What elements does ZnCoO3 contain?
ZnCoO3 contains Co, O, and Zn (3 elements).
Where does the data for ZnCoO3 come from?
ZnCoO3 data is cross-referenced from materials_project, jarvis, mpaloe.
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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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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