MnZn4Se5
MnZn4Se5 is a thermodynamically stable semiconducting compound composed of manganese, zinc, and selenium.
About MnZn4Se5
MnZn4Se5 is a complex ternary selenide that functions as a semiconductor. Its position on the thermodynamic convex hull indicates that it is a stable phase, making it a reliable candidate for structural and electronic investigations in solid-state chemistry. The material is characterized by its specific arrangement of manganese, zinc, and selenium atoms, which dictates its electronic behavior and potential utility in optoelectronic applications. Given its structural stability, it serves as a robust subject for researchers mapping the phase space of transition metal chalcogenides.
Key Properties
Cross-validated computational properties for MnZn4Se5, 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 MnZn4Se5, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 0.66 | 0.0000 | -4.054 | 5.07 |
| R3m (No. 160) | trigonal | 0.18 | 0.0179 | -4.036 | 4.90 |
| Cm (No. 8) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 4.91 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.09 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.12 |
Applications
Where MnZn4Se5 is used.
Frequently Asked Questions
Common questions about MnZn4Se5, answered from cross-validated data.
What is MnZn4Se5?
MnZn4Se5 is a thermodynamically stable semiconducting compound composed of manganese, zinc, and selenium.
What is MnZn4Se5 used for?
What is the band gap of MnZn4Se5?
Is MnZn4Se5 a metal, semiconductor, or insulator?
Is MnZn4Se5 thermodynamically stable?
What is the crystal structure of MnZn4Se5?
What is the density of MnZn4Se5?
How many polymorphs of MnZn4Se5 are known?
What elements does MnZn4Se5 contain?
Where does the data for MnZn4Se5 come from?
How It Compares
As a member of the transition metal chalcogenide family, MnZn4Se5 occupies a distinct niche where the incorporation of manganese into the zinc selenide framework modifies its electronic properties. Unlike simpler binary semiconductors, this compound offers a more complex structural architecture that allows for fine-tuning of its semiconducting characteristics, positioning it as a significant material for those studying the interplay between magnetic transition metals and chalcogenide lattices.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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