Co8Li8O32P8
Co8Li8O32P8 has a DFT band gap of 0.06–3.37 eV across 71 reported structures in 23 space groups; its lowest-energy polymorph is monoclinic (Pc (No. 7)). Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Co8Li8O32P8, aggregated across 2 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.
0.06–3.37 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.
71
2 databases, 23 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Co8Li8O32P8, 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. |
|---|---|---|---|---|---|
| Pc (No. 7) | monoclinic | 3.24 | 0.0000 | -7.297 | 2.99 |
| Pna21 (No. 33) | orthorhombic | 3.16 | 0.0025 | -7.294 | 3.06 |
| P21/c (No. 14) | monoclinic | 3.01 | 0.0041 | -7.293 | 3.04 |
| Pca21 (No. 29) | orthorhombic | 3.18 | 0.0045 | -7.292 | 3.08 |
| Pna21 (No. 33) | orthorhombic | 3.15 | 0.0055 | -7.291 | 3.02 |
| Pca21 (No. 29) | orthorhombic | 3.18 | 0.0055 | -7.291 | 3.07 |
| R3 (No. 146) | trigonal | 2.92 | 0.0068 | -7.290 | 3.11 |
| Cc (No. 9) | monoclinic | 3.30 | 0.0086 | -7.288 | 3.05 |
| Cc (No. 9) | monoclinic | 3.21 | 0.0096 | -7.287 | 3.03 |
| I-4 (No. 82) | tetragonal | 3.37 | 0.0114 | -7.285 | 3.08 |
| P21 (No. 4) | monoclinic | 3.13 | 0.0272 | -7.270 | 3.07 |
| P212121 (No. 19) | orthorhombic | 3.13 | 0.0275 | -7.269 | 3.07 |
Reference
Frequently Asked Questions
Common questions about Co8Li8O32P8, answered from cross-validated data.
What is the band gap of Co8Li8O32P8?
Co8Li8O32P8 has a DFT-computed band gap of 0.06–3.37 eV across 71 reported structures.
More questions
Is Co8Li8O32P8 a metal, semiconductor, or insulator?
With a wide band gap up to 3.37 eV it is an insulator / wide-band-gap material.
Is Co8Li8O32P8 thermodynamically stable?
Yes — Co8Li8O32P8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Co8Li8O32P8?
The lowest-energy reported polymorph of Co8Li8O32P8 is monoclinic symmetry, space group Pc (No. 7).
What is the density of Co8Li8O32P8?
The computed density of the ground-state structure of Co8Li8O32P8 is 2.99 g/cm³.
How many polymorphs of Co8Li8O32P8 are known?
71 structures of Co8Li8O32P8 are reported across 2 databases, spanning 23 distinct space groups.
What elements does Co8Li8O32P8 contain?
Co8Li8O32P8 contains Co, Li, O, and P (4 elements).
Where does the data for Co8Li8O32P8 come from?
Co8Li8O32P8 data is cross-referenced from materials_project.
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Related Compounds
Other Olivine Phosphate Cathodes 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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