CoMgS2
CoMgS2 is a metastable semiconducting sulfide compound composed of cobalt, magnesium, and sulfur.
About CoMgS2
CoMgS2 is a ternary sulfide compound characterized by its semiconducting electronic nature. As a metastable material, it represents a specialized structural configuration that offers intriguing possibilities for researchers investigating complex chalcogenide systems.
Its existence across multiple structural databases highlights its significance in solid-state chemistry. The material serves as a subject of interest for those exploring the synthesis and stability of mixed-metal sulfides in various technological contexts.
Key Properties
Cross-validated computational properties for CoMgS2, 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 CoMgS2, 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. |
|---|---|---|---|---|---|
| Fd-3m (No. 227) | cubic | 0.79 | 0.0715 | -5.542 | 3.63 |
| R-3m (No. 166) | trigonal | 0.00 | 0.1067 | -5.602 | 3.49 |
| R-3m (No. 166) | trigonal | 0.00 | 0.1131 | -5.596 | 3.67 |
| Imm2 (No. 44) | orthorhombic | 0.00 | 0.1140 | -5.595 | 3.50 |
| Imma (No. 74) | orthorhombic | 0.00 | 0.1346 | -5.479 | 3.72 |
| Imma (No. 74) | orthorhombic | 0.00 | 0.2149 | -5.399 | 3.71 |
| P1 (No. 1) | triclinic | 0.00 | 0.2603 | -5.448 | 3.72 |
| R3m (No. 160) | trigonal | 0.00 | 0.3722 | -5.072 | 3.92 |
| R3 (No. 146) | trigonal | 0.00 | 0.4156 | -5.293 | 4.08 |
| F-43m (No. 216) | cubic | 0.00 | 0.5306 | -5.178 | 3.27 |
| — | — | — | — | — | 3.36 |
| — | — | — | — | — | — |
Applications
Where CoMgS2 is used.
Frequently Asked Questions
Common questions about CoMgS2, answered from cross-validated data.
What is CoMgS2?
CoMgS2 is a metastable semiconducting sulfide compound composed of cobalt, magnesium, and sulfur.
What is CoMgS2 used for?
What is the band gap of CoMgS2?
Is CoMgS2 a metal, semiconductor, or insulator?
Is CoMgS2 thermodynamically stable?
What is the crystal structure of CoMgS2?
What is the density of CoMgS2?
How many polymorphs of CoMgS2 are known?
What elements does CoMgS2 contain?
Where does the data for CoMgS2 come from?
How It Compares
As a unique ternary sulfide, CoMgS2 occupies a specific niche in materials science where its metastable nature distinguishes it from more common, highly stable binary sulfides. It serves as an important case study for understanding how cobalt and magnesium cations interact within a sulfur framework to produce semiconducting behavior.
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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