K12Mn2S8
K12Mn2S8 is a thermodynamically stable semiconducting compound composed of potassium, manganese, and sulfur.
About K12Mn2S8
K12Mn2S8 is a complex ternary sulfide characterized by its semiconducting electronic nature. Its position on the convex hull confirms that it is a thermodynamically stable phase, making it a reliable subject for structural and electronic investigations.
As a material with multiple reported structural variants across databases, K12Mn2S8 represents an interesting case study in the coordination chemistry of manganese within sulfur-rich environments. Its stability suggests potential for further exploration in solid-state chemistry and materials design.
Key Properties
Cross-validated computational properties for K12Mn2S8, 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 K12Mn2S8, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 1.30 | 0.0000 | -8.853 | 2.14 |
| P63mc (No. 186) | — | — | — | — | — |
| — | — | — | — | — | 1.75 |
Frequently Asked Questions
Common questions about K12Mn2S8, answered from cross-validated data.
What is K12Mn2S8?
K12Mn2S8 is a thermodynamically stable semiconducting compound composed of potassium, manganese, and sulfur.
What is the band gap of K12Mn2S8?
Is K12Mn2S8 a metal, semiconductor, or insulator?
Is K12Mn2S8 thermodynamically stable?
What is the crystal structure of K12Mn2S8?
What is the density of K12Mn2S8?
How many polymorphs of K12Mn2S8 are known?
What elements does K12Mn2S8 contain?
Where does the data for K12Mn2S8 come from?
How It Compares
As a unique ternary sulfide, K12Mn2S8 serves as a distinct example of stable manganese-based chalcogenide phases. Without direct structural siblings in its immediate classification, it stands as a specialized reference point for understanding the interplay between alkali metal cations and transition metal sulfide frameworks.
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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