MgS2Zn
MgS2Zn is a semiconducting ternary sulfide compound that is theoretically stable enough to be a candidate for experimental synthesis.
About MgS2Zn
MgS2Zn is a semiconducting ternary sulfide that exists in a near-hull state, suggesting it is a viable candidate for experimental synthesis. Its electronic properties make it a compelling subject for researchers investigating new functional materials within the metal-sulfide family.
Given its status as a data-rich compound with multiple reported structural configurations, it serves as a valuable model for understanding phase stability in complex ternary systems. Its potential for semiconducting behavior positions it as a candidate for specialized electronic applications.
Key Properties
Cross-validated computational properties for MgS2Zn, 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 MgS2Zn, 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. |
|---|---|---|---|---|---|
| P-4m2 (No. 115) | tetragonal | 2.55 | 0.0205 | -4.134 | 3.03 |
| — | — | — | — | — | 3.18 |
| — | — | — | — | — | — |
| — | — | — | — | — | — |
Applications
Where MgS2Zn is used.
Frequently Asked Questions
Common questions about MgS2Zn, answered from cross-validated data.
What is MgS2Zn?
MgS2Zn is a semiconducting ternary sulfide compound that is theoretically stable enough to be a candidate for experimental synthesis.
What is MgS2Zn used for?
What is the band gap of MgS2Zn?
Is MgS2Zn a metal, semiconductor, or insulator?
Is MgS2Zn thermodynamically stable?
What is the crystal structure of MgS2Zn?
What is the density of MgS2Zn?
How many polymorphs of MgS2Zn are known?
What elements does MgS2Zn contain?
Where does the data for MgS2Zn come from?
How It Compares
As a ternary sulfide, MgS2Zn occupies a unique niche in materials science, representing a structural bridge between simpler binary sulfides. Its near-hull stability indicates that it is a promising target for laboratory realization compared to more volatile or highly unstable theoretical phases.
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).
- alexandria — Data from alexandria.
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