Co1O2
Co1O2 has a DFT band gap of 0.01–1.25 eV across 53 reported structures in 26 space groups; its lowest-energy polymorph is tetragonal (I4/m (No. 87)). Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Co1O2, 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.
0.01–1.25 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)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
53
3 databases, 26 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Co1O2, 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/m (No. 87) | tetragonal | 0.59 | 0.0000 | -6.749 | 4.85 |
| Aem2 (No. 39) | orthorhombic | 1.13 | 0.0058 | -6.743 | 4.09 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0067 | -6.742 | 2.70 |
| P-1 (No. 2) | triclinic | 0.84 | 0.0125 | -6.736 | 4.47 |
| C2/m (No. 12) | monoclinic | 1.25 | 0.0142 | -6.735 | 4.47 |
| Pnma (No. 62) | orthorhombic | 0.01 | 0.0253 | -6.724 | 5.11 |
| C2 (No. 5) | monoclinic | 0.00 | 0.0259 | -6.723 | 4.49 |
| I41/amd (No. 141) | tetragonal | 0.94 | 0.0573 | -6.692 | 4.76 |
| P63mc (No. 186) | hexagonal | 0.00 | 0.0678 | -6.681 | 5.18 |
| C2/c (No. 15) | monoclinic | 1.03 | 0.0732 | -6.676 | 2.92 |
| P3m1 (No. 156) | trigonal | 0.00 | 0.0834 | -6.665 | 4.67 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0887 | -6.660 | 4.96 |
Reference
Frequently Asked Questions
Common questions about Co1O2, answered from cross-validated data.
What is the band gap of Co1O2?
Co1O2 has a DFT-computed band gap of 0.01–1.25 eV across 53 reported structures.
More questions
Is Co1O2 a metal, semiconductor, or insulator?
With a band gap up to 1.25 eV it is a semiconductor.
Is Co1O2 thermodynamically stable?
Yes — Co1O2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Co1O2?
The lowest-energy reported polymorph of Co1O2 is tetragonal symmetry, space group I4/m (No. 87).
What is the density of Co1O2?
The computed density of the ground-state structure of Co1O2 is 4.85 g/cm³.
How many polymorphs of Co1O2 are known?
53 structures of Co1O2 are reported across 3 databases, spanning 26 distinct space groups.
What elements does Co1O2 contain?
Co1O2 contains Co and O (2 elements).
Where does the data for Co1O2 come from?
Co1O2 data is cross-referenced from materials_project.
Explore
Related Compounds
Other Conversion Oxide Anodes in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
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