Cl8Mn3Na2
Cl8Mn3Na2 is a stable, semiconducting inorganic chloride compound composed of manganese, sodium, and chlorine.
About Cl8Mn3Na2
Cl8Mn3Na2 is a complex chloride compound featuring manganese and sodium. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of these elements, supported by multiple documented structural variations across scientific databases.
This material exhibits semiconducting electronic character, positioning it as an interesting candidate for research into functional inorganic solids. Its stability and distinct elemental composition make it a notable subject for exploring the interplay between transition metals and alkali halides in solid-state chemistry.
Key Properties
Cross-validated computational properties for Cl8Mn3Na2, 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 Cl8Mn3Na2, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 1.92 | 0.0008 | -9.448 | 2.64 |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| — | — | — | — | — | 2.14 |
Frequently Asked Questions
Common questions about Cl8Mn3Na2, answered from cross-validated data.
What is Cl8Mn3Na2?
Cl8Mn3Na2 is a stable, semiconducting inorganic chloride compound composed of manganese, sodium, and chlorine.
What is the band gap of Cl8Mn3Na2?
Is Cl8Mn3Na2 a metal, semiconductor, or insulator?
Is Cl8Mn3Na2 thermodynamically stable?
What is the crystal structure of Cl8Mn3Na2?
What is the density of Cl8Mn3Na2?
How many polymorphs of Cl8Mn3Na2 are known?
What elements does Cl8Mn3Na2 contain?
Where does the data for Cl8Mn3Na2 come from?
How It Compares
As a unique inorganic compound, Cl8Mn3Na2 serves as a specialized example of manganese-based chloride systems. Without direct structural siblings in this specific classification, it stands as a distinct reference point for understanding how manganese and sodium coordinate within a stable halide framework.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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