Co1Na1O2
Co1Na1O2 has a DFT band gap of 0.16–2.25 eV across 26 reported structures in 17 space groups; its lowest-energy polymorph is trigonal (R-3m (No. 166)). Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Co1Na1O2, 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.
0.16–2.25 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.
26
3 databases, 17 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Co1Na1O2, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 2.25 | 0.0000 | -6.150 | 5.11 |
| Pmmn (No. 59) | orthorhombic | 0.00 | 0.0000 | -6.499 | 4.46 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0000 | -6.607 | 4.25 |
| P2/c (No. 13) | monoclinic | 0.00 | 0.0072 | -6.600 | 4.02 |
| P63/mmc (No. 194) | hexagonal | 2.12 | 0.0139 | -6.136 | 5.08 |
| C2/m (No. 12) | monoclinic | 0.85 | 0.0292 | -6.578 | 3.93 |
| C2 (No. 5) | monoclinic | 1.31 | 0.0352 | -6.572 | 3.85 |
| Pmn21 (No. 31) | orthorhombic | 0.64 | 0.0770 | -6.073 | 4.45 |
| Pmmn (No. 59) | orthorhombic | 0.00 | 0.0785 | -6.072 | 4.47 |
| R3m (No. 160) | trigonal | 2.07 | 0.0974 | -6.053 | 4.38 |
| P1 (No. 1) | triclinic | 0.52 | 0.1084 | -6.042 | 4.21 |
| P21 (No. 4) | monoclinic | 0.65 | 0.1119 | -6.038 | 4.36 |
Reference
Frequently Asked Questions
Common questions about Co1Na1O2, answered from cross-validated data.
What is the band gap of Co1Na1O2?
Co1Na1O2 has a DFT-computed band gap of 0.16–2.25 eV across 26 reported structures.
More questions
Is Co1Na1O2 a metal, semiconductor, or insulator?
With a band gap up to 2.25 eV it is a semiconductor.
Is Co1Na1O2 thermodynamically stable?
Yes — Co1Na1O2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Co1Na1O2?
The lowest-energy reported polymorph of Co1Na1O2 is trigonal symmetry, space group R-3m (No. 166).
What is the density of Co1Na1O2?
The computed density of the ground-state structure of Co1Na1O2 is 5.11 g/cm³.
How many polymorphs of Co1Na1O2 are known?
26 structures of Co1Na1O2 are reported across 3 databases, spanning 17 distinct space groups.
What elements does Co1Na1O2 contain?
Co1Na1O2 contains Co, Na, and O (3 elements).
Where does the data for Co1Na1O2 come from?
Co1Na1O2 data is cross-referenced from materials_project, aflow.
Explore
Related Compounds
Other Layered Sodium Transition-Metal Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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