K4Mn2Se4
K4Mn2Se4 is a thermodynamically stable, semiconducting quaternary chalcogenide compound containing potassium, manganese, and selenium.
About K4Mn2Se4
K4Mn2Se4 is a complex quaternary chalcogenide that exists as a thermodynamically stable phase on the convex hull. Its electronic character is defined as semiconducting, making it an intriguing candidate for specialized optoelectronic or solid-state applications where structural stability is paramount.
Given its presence across multiple structural databases, this compound represents a well-documented entry in the landscape of manganese-based selenides. Its unique stoichiometry and stable nature provide a foundation for researchers investigating the interplay between transition metal magnetism and semiconducting behavior in complex lattices.
Key Properties
Cross-validated computational properties for K4Mn2Se4, 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 K4Mn2Se4, 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. |
|---|---|---|---|---|---|
| Ibam (No. 72) | orthorhombic | 0.99 | 0.0000 | -4.802 | 3.16 |
| — | — | — | — | — | 3.10 |
| Ibam (No. 72) | — | — | — | — | — |
| Ibam (No. 72) | — | — | — | — | — |
Applications
Where K4Mn2Se4 is used.
Frequently Asked Questions
Common questions about K4Mn2Se4, answered from cross-validated data.
What is K4Mn2Se4?
K4Mn2Se4 is a thermodynamically stable, semiconducting quaternary chalcogenide compound containing potassium, manganese, and selenium.
What is K4Mn2Se4 used for?
What is the band gap of K4Mn2Se4?
Is K4Mn2Se4 a metal, semiconductor, or insulator?
Is K4Mn2Se4 thermodynamically stable?
What is the crystal structure of K4Mn2Se4?
What is the density of K4Mn2Se4?
How many polymorphs of K4Mn2Se4 are known?
What elements does K4Mn2Se4 contain?
Where does the data for K4Mn2Se4 come from?
How It Compares
As a distinct member of the manganese-selenide family, K4Mn2Se4 occupies a stable position within the chemical space of alkali-metal transition metal chalcogenides. It serves as a representative example of how ternary and quaternary systems can achieve thermodynamic stability, offering a reliable structural archetype for those studying the broader class of semiconducting chalcogenide 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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