Cl18Cs2Mn8
Cl18Cs2Mn8 is a thermodynamically stable, semiconducting halide compound composed of cesium, manganese, and chlorine.
About Cl18Cs2Mn8
Cl18Cs2Mn8 is a complex halide material characterized by its semiconducting electronic nature. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement of cesium, manganese, and chlorine atoms.
This material is of interest to researchers investigating novel inorganic semiconductors. Its structural integrity and electronic properties make it a subject of study for those exploring the fundamental behavior of metal-halide frameworks in solid-state chemistry.
Key Properties
Cross-validated computational properties for Cl18Cs2Mn8, 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 Cl18Cs2Mn8, 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. |
|---|---|---|---|---|---|
| I41/a (No. 88) | tetragonal | 1.88 | 0.0000 | -11.642 | 3.15 |
| — | — | — | — | — | 3.03 |
| — | — | — | — | — | 3.03 |
| I41/a (No. 88) | — | — | — | — | — |
Applications
Where Cl18Cs2Mn8 is used.
Frequently Asked Questions
Common questions about Cl18Cs2Mn8, answered from cross-validated data.
What is Cl18Cs2Mn8?
Cl18Cs2Mn8 is a thermodynamically stable, semiconducting halide compound composed of cesium, manganese, and chlorine.
What is Cl18Cs2Mn8 used for?
What is the band gap of Cl18Cs2Mn8?
Is Cl18Cs2Mn8 a metal, semiconductor, or insulator?
Is Cl18Cs2Mn8 thermodynamically stable?
What is the crystal structure of Cl18Cs2Mn8?
What is the density of Cl18Cs2Mn8?
How many polymorphs of Cl18Cs2Mn8 are known?
What elements does Cl18Cs2Mn8 contain?
Where does the data for Cl18Cs2Mn8 come from?
How It Compares
As a unique inorganic halide, Cl18Cs2Mn8 serves as a distinct representative of complex manganese-based frameworks. Its thermodynamic stability distinguishes it as a reliable candidate for further structural and electronic characterization within the broader landscape of halide materials.
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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