Mg2MoS8Sc3
Mg2MoS8Sc3 is a metastable quaternary sulfide semiconductor composed of magnesium, molybdenum, sulfur, and scandium.
About Mg2MoS8Sc3
Mg2MoS8Sc3 is a complex quaternary sulfide characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique arrangement of magnesium, molybdenum, sulfur, and scandium atoms that exists in a delicate energy landscape, making it a subject of interest for fundamental materials exploration.
Its specific composition suggests potential utility in specialized electronic or optoelectronic applications where tunable semiconducting properties are required. The existence of multiple structural variants across databases underscores its complexity and the ongoing effort to map its potential in solid-state chemistry.
Key Properties
Cross-validated computational properties for Mg2MoS8Sc3, 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 Mg2MoS8Sc3, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.43 | 0.0937 | -6.496 | 2.95 |
| — | — | — | — | — | 2.96 |
| — | — | — | — | — | — |
Applications
Where Mg2MoS8Sc3 is used.
Frequently Asked Questions
Common questions about Mg2MoS8Sc3, answered from cross-validated data.
What is Mg2MoS8Sc3?
Mg2MoS8Sc3 is a metastable quaternary sulfide semiconductor composed of magnesium, molybdenum, sulfur, and scandium.
What is Mg2MoS8Sc3 used for?
What is the band gap of Mg2MoS8Sc3?
Is Mg2MoS8Sc3 a metal, semiconductor, or insulator?
Is Mg2MoS8Sc3 thermodynamically stable?
What is the crystal structure of Mg2MoS8Sc3?
What is the density of Mg2MoS8Sc3?
How many polymorphs of Mg2MoS8Sc3 are known?
What elements does Mg2MoS8Sc3 contain?
Where does the data for Mg2MoS8Sc3 come from?
How It Compares
As a unique quaternary sulfide, Mg2MoS8Sc3 occupies a distinct space in materials research where complex metal-sulfur frameworks are evaluated for their electronic performance. Unlike simpler binary or ternary sulfides, this compound provides a more intricate structural environment that may offer novel pathways for charge transport or structural stability in experimental settings.
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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