Y4MgS7
Y4MgS7 is a semiconducting ternary sulfide that is considered a viable candidate for synthesis due to its favorable thermodynamic stability.
About Y4MgS7
Y4MgS7 is a complex ternary sulfide composed of yttrium, magnesium, and sulfur. As a semiconducting material, it occupies a unique position in solid-state chemistry, offering potential for electronic or optoelectronic applications where specific band structures are required.
This compound is characterized by its near-hull thermodynamic stability, suggesting that it is a viable target for experimental synthesis. With multiple reported structural configurations, it represents a flexible platform for exploring how atomic arrangement influences the physical properties of rare-earth magnesium sulfides.
Key Properties
Cross-validated computational properties for Y4MgS7, 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 Y4MgS7, 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 | 1.06 | 0.0217 | -6.940 | 3.76 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.76 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.81 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.79 |
| Cm (No. 8) | — | — | — | — | — |
Applications
Where Y4MgS7 is used.
Frequently Asked Questions
Common questions about Y4MgS7, answered from cross-validated data.
What is Y4MgS7?
Y4MgS7 is a semiconducting ternary sulfide that is considered a viable candidate for synthesis due to its favorable thermodynamic stability.
What is Y4MgS7 used for?
What is the band gap of Y4MgS7?
Is Y4MgS7 a metal, semiconductor, or insulator?
Is Y4MgS7 thermodynamically stable?
What is the crystal structure of Y4MgS7?
What is the density of Y4MgS7?
How many polymorphs of Y4MgS7 are known?
What elements does Y4MgS7 contain?
Where does the data for Y4MgS7 come from?
How It Compares
As a member of the ternary sulfide family, Y4MgS7 serves as a representative example of how rare-earth elements can be integrated with alkaline earth metals to tune electronic behavior. It stands as a significant subject for structural study, providing insight into the stability and potential utility of complex sulfide frameworks.
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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