MnCd4S5
MnCd4S5 is a semiconducting manganese cadmium sulfide compound that is theoretically stable and of interest for materials synthesis research.
About MnCd4S5
MnCd4S5 is a complex sulfide compound composed of manganese, cadmium, and sulfur. As a semiconducting material, it represents a specialized niche in inorganic chemistry where the interplay of transition metals and chalcogens dictates its electronic behavior.
Given its position near the thermodynamic hull, this compound is considered a promising candidate for experimental synthesis. Its structural complexity is highlighted by multiple reported configurations, suggesting a rich landscape for further investigation into its potential physical properties.
Key Properties
Cross-validated computational properties for MnCd4S5, 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 MnCd4S5, 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 | 0.61 | 0.0027 | -14.374 | 4.46 |
| Cm (No. 8) | monoclinic | 0.00 | 0.0106 | -14.366 | 4.35 |
| R3m (No. 160) | trigonal | 0.24 | 0.0166 | -14.360 | 4.34 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.35 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.50 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.46 |
| R3m (No. 160) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 4.50 |
| Cm (No. 8) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 4.36 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.46 |
Applications
Where MnCd4S5 is used.
Frequently Asked Questions
Common questions about MnCd4S5, answered from cross-validated data.
What is MnCd4S5?
MnCd4S5 is a semiconducting manganese cadmium sulfide compound that is theoretically stable and of interest for materials synthesis research.
What is MnCd4S5 used for?
What is the band gap of MnCd4S5?
Is MnCd4S5 a metal, semiconductor, or insulator?
Is MnCd4S5 thermodynamically stable?
What is the crystal structure of MnCd4S5?
What is the density of MnCd4S5?
How many polymorphs of MnCd4S5 are known?
What elements does MnCd4S5 contain?
Where does the data for MnCd4S5 come from?
How It Compares
As a unique sulfide compound, MnCd4S5 occupies a distinct position in materials science where its specific stoichiometry allows for specialized electronic tuning compared to simpler binary metal sulfides.
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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