CdMgS2
CdMgS2 is a metastable semiconducting ternary sulfide compound that is primarily utilized in fundamental materials science research.
About CdMgS2
CdMgS2 is a ternary sulfide compound characterized by its semiconducting electronic nature. As a metastable material, it represents a unique structural configuration within the cadmium-magnesium-sulfur system, offering researchers a distinct platform for studying phase stability and electronic properties in complex chalcogenides.
Its existence across multiple reported structural forms highlights its versatility in solid-state chemistry. While it remains a specialized subject of inquiry, its composition suggests potential utility in optoelectronic applications where the tuning of electronic properties through cation substitution is a primary research objective.
Key Properties
Cross-validated computational properties for CdMgS2, 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 CdMgS2, 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. |
|---|---|---|---|---|---|
| P4/mmm (No. 123) | tetragonal | 0.83 | 0.0966 | -3.883 | 4.27 |
| — | — | — | — | — | 3.54 |
| — | — | — | — | — | 3.77 |
| — | — | — | — | — | — |
| — | — | — | — | — | — |
| — | — | — | — | — | — |
Applications
Where CdMgS2 is used.
Frequently Asked Questions
Common questions about CdMgS2, answered from cross-validated data.
What is CdMgS2?
CdMgS2 is a metastable semiconducting ternary sulfide compound that is primarily utilized in fundamental materials science research.
What is CdMgS2 used for?
What is the band gap of CdMgS2?
Is CdMgS2 a metal, semiconductor, or insulator?
Is CdMgS2 thermodynamically stable?
What is the crystal structure of CdMgS2?
What is the density of CdMgS2?
How many polymorphs of CdMgS2 are known?
What elements does CdMgS2 contain?
Where does the data for CdMgS2 come from?
How It Compares
As a ternary sulfide, CdMgS2 occupies a niche position in the landscape of semiconducting materials. Without direct structural analogs in its immediate class, it serves as an important case study for understanding how the integration of cadmium and magnesium into a sulfur framework influences thermodynamic stability and electronic behavior compared to simpler binary sulfide systems.
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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