Cs4Li2Mn2O8
Cs4Li2Mn2O8 is a thermodynamically stable, semiconducting layered oxide containing cesium, lithium, manganese, and oxygen.
About Cs4Li2Mn2O8
Cs4Li2Mn2O8 is a complex layered lithium transition-metal oxide characterized by its semiconducting electronic structure. As a material that sits on the convex hull, it exhibits notable thermodynamic stability, making it a subject of interest in solid-state chemistry research.
This compound represents an intricate arrangement of cesium, lithium, manganese, and oxygen atoms. Its structural configuration within the layered oxide family provides a unique framework for investigating ion transport and electronic properties relevant to advanced energy storage technologies.
Key Properties
Cross-validated computational properties for Cs4Li2Mn2O8, 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Cs4Li2Mn2O8, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 1.82 | 0.0000 | -5.967 | 4.15 |
| — | — | — | — | — | 4.16 |
| Cmc21 (No. 36) | — | — | — | — | — |
Applications
Where Cs4Li2Mn2O8 is used.
Frequently Asked Questions
Common questions about Cs4Li2Mn2O8, answered from cross-validated data.
What is Cs4Li2Mn2O8?
Cs4Li2Mn2O8 is a thermodynamically stable, semiconducting layered oxide containing cesium, lithium, manganese, and oxygen.
What is Cs4Li2Mn2O8 used for?
What is the band gap of Cs4Li2Mn2O8?
Is Cs4Li2Mn2O8 a metal, semiconductor, or insulator?
Is Cs4Li2Mn2O8 thermodynamically stable?
What is the crystal structure of Cs4Li2Mn2O8?
What is the density of Cs4Li2Mn2O8?
How many polymorphs of Cs4Li2Mn2O8 are known?
What elements does Cs4Li2Mn2O8 contain?
Where does the data for Cs4Li2Mn2O8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse family of layered lithium transition-metal oxides, Cs4Li2Mn2O8 occupies a distinct niche compared to more conventional cathode materials like LiCoO2 or LiNiO2. While many of its siblings are primarily utilized for their reversible lithium intercalation capabilities, this compound offers a different structural complexity due to the inclusion of cesium, setting it apart from the simpler binary-metal systems like LiMnO2 or LiAlO2.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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