Co2Li4MnO7
Co2Li4MnO7 has a DFT band gap of 0.02–1.71 eV across 211 reported structures in 5 space groups; its lowest-energy polymorph is monoclinic (C2 (No. 5)). Cross-validated across 2 computational databases.
Overview
Key Properties
Cross-validated computational properties for Co2Li4MnO7, 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.
0.02–1.71 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.
0.052 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
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
211
2 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Co2Li4MnO7, 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 (No. 5) | monoclinic | 0.99 | 0.0515 | -6.573 | 4.25 |
| P1 (No. 1) | triclinic | 0.59 | 0.0562 | -6.568 | 4.22 |
| P-1 (No. 2) | triclinic | 1.71 | 0.0587 | -6.566 | 4.15 |
| C2/m (No. 12) | monoclinic | 0.94 | 0.0607 | -6.564 | 4.21 |
| P-1 (No. 2) | triclinic | 0.98 | 0.0614 | -6.563 | 4.21 |
| C2/m (No. 12) | monoclinic | 0.86 | 0.0641 | -6.561 | 4.14 |
| C2/m (No. 12) | monoclinic | 1.14 | 0.0651 | -6.560 | 4.12 |
| P1 (No. 1) | triclinic | 1.11 | 0.0660 | -6.559 | 4.18 |
| C2/m (No. 12) | monoclinic | 1.09 | 0.0675 | -6.557 | 4.11 |
| C2/m (No. 12) | monoclinic | 0.92 | 0.0683 | -6.556 | 4.12 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0693 | -6.555 | 4.11 |
| C2/m (No. 12) | monoclinic | 1.10 | 0.0694 | -6.555 | 4.12 |
Reference
Frequently Asked Questions
Common questions about Co2Li4MnO7, answered from cross-validated data.
What is the band gap of Co2Li4MnO7?
Co2Li4MnO7 has a DFT-computed band gap of 0.02–1.71 eV across 211 reported structures.
More questions
Is Co2Li4MnO7 a metal, semiconductor, or insulator?
With a band gap up to 1.71 eV it is a semiconductor.
Is Co2Li4MnO7 thermodynamically stable?
Co2Li4MnO7 has a lowest energy above hull of 0.052 eV/atom (metastable).
What is the crystal structure of Co2Li4MnO7?
The lowest-energy reported polymorph of Co2Li4MnO7 is monoclinic symmetry, space group C2 (No. 5).
What is the density of Co2Li4MnO7?
The computed density of the ground-state structure of Co2Li4MnO7 is 4.25 g/cm³.
How many polymorphs of Co2Li4MnO7 are known?
211 structures of Co2Li4MnO7 are reported across 2 databases, spanning 5 distinct space groups.
What elements does Co2Li4MnO7 contain?
Co2Li4MnO7 contains Co, Li, Mn, and O (4 elements).
Where does the data for Co2Li4MnO7 come from?
Co2Li4MnO7 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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