CoLi4Mn3O8
CoLi4Mn3O8 has a DFT band gap of 0.02–1.13 eV across 43 reported structures in 5 space groups; its lowest-energy polymorph is monoclinic (C2/c (No. 15)). Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for CoLi4Mn3O8, 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.
0.02–1.13 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.
0.030 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.
43
3 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for CoLi4Mn3O8, 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 | 0.00 | 0.0299 | -7.141 | 4.20 |
| P-1 (No. 2) | triclinic | 0.89 | 0.0300 | -7.141 | 4.19 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0310 | -7.140 | 4.20 |
| C2/m (No. 12) | monoclinic | 0.56 | 0.0324 | -7.139 | 4.18 |
| P2/m (No. 10) | monoclinic | 0.84 | 0.0326 | -7.139 | 4.15 |
| P-1 (No. 2) | triclinic | 0.54 | 0.0329 | -7.139 | 4.13 |
| P-1 (No. 2) | triclinic | 0.06 | 0.0331 | -7.138 | 4.16 |
| P-1 (No. 2) | triclinic | 0.54 | 0.0336 | -7.138 | 4.15 |
| P-1 (No. 2) | triclinic | 0.91 | 0.0343 | -7.137 | 4.16 |
| P-1 (No. 2) | triclinic | 0.89 | 0.0350 | -7.136 | 4.15 |
| P-1 (No. 2) | triclinic | 0.84 | 0.0365 | -7.135 | 4.20 |
| P-1 (No. 2) | triclinic | 0.45 | 0.0393 | -7.132 | 4.14 |
Reference
Frequently Asked Questions
Common questions about CoLi4Mn3O8, answered from cross-validated data.
What is the band gap of CoLi4Mn3O8?
CoLi4Mn3O8 has a DFT-computed band gap of 0.02–1.13 eV across 43 reported structures.
More questions
Is CoLi4Mn3O8 a metal, semiconductor, or insulator?
With a band gap up to 1.13 eV it is a semiconductor.
Is CoLi4Mn3O8 thermodynamically stable?
CoLi4Mn3O8 has a lowest energy above hull of 0.030 eV/atom (metastable).
What is the crystal structure of CoLi4Mn3O8?
The lowest-energy reported polymorph of CoLi4Mn3O8 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of CoLi4Mn3O8?
The computed density of the ground-state structure of CoLi4Mn3O8 is 4.20 g/cm³.
How many polymorphs of CoLi4Mn3O8 are known?
43 structures of CoLi4Mn3O8 are reported across 3 databases, spanning 5 distinct space groups.
What elements does CoLi4Mn3O8 contain?
CoLi4Mn3O8 contains Co, Li, Mn, and O (4 elements).
Where does the data for CoLi4Mn3O8 come from?
CoLi4Mn3O8 data is cross-referenced from materials_project.
Explore
Related Compounds
Other Layered Lithium 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).
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