Y4MnS7
Y4MnS7 is a semiconducting ternary sulfide containing yttrium and manganese that is considered a promising candidate for synthesis.
About Y4MnS7
Y4MnS7 is a complex ternary sulfide composed of yttrium, manganese, and sulfur. As a semiconducting compound, it occupies a unique position in solid-state chemistry, characterized by a structural arrangement that suggests potential for electronic applications.
This material is classified as near-hull, indicating that it is thermodynamically stable enough to be a viable target for experimental synthesis. Its existence across multiple structural databases highlights its significance as a subject of ongoing research in the field of chalcogenide materials.
Key Properties
Cross-validated computational properties for Y4MnS7, 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 Y4MnS7, 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 | 0.47 | 0.0196 | -14.837 | 3.99 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.96 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.02 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.00 |
| Cm (No. 8) | — | — | — | — | — |
Applications
Where Y4MnS7 is used.
Frequently Asked Questions
Common questions about Y4MnS7, answered from cross-validated data.
What is Y4MnS7?
Y4MnS7 is a semiconducting ternary sulfide containing yttrium and manganese that is considered a promising candidate for synthesis.
What is Y4MnS7 used for?
What is the band gap of Y4MnS7?
Is Y4MnS7 a metal, semiconductor, or insulator?
Is Y4MnS7 thermodynamically stable?
What is the crystal structure of Y4MnS7?
What is the density of Y4MnS7?
How many polymorphs of Y4MnS7 are known?
What elements does Y4MnS7 contain?
Where does the data for Y4MnS7 come from?
How It Compares
As a ternary sulfide, Y4MnS7 represents a specialized class of semiconducting materials where the interplay between rare-earth yttrium and transition-metal manganese dictates its electronic properties. While it currently stands as a distinct entry without direct siblings in this specific dataset, it serves as a critical model for understanding how metal-sulfur frameworks can be tuned for specific semiconducting behaviors.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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