Y2MnS4
Y2MnS4 is a semiconducting ternary sulfide compound that is considered a promising candidate for synthesis due to its favorable thermodynamic stability.
About Y2MnS4
Y2MnS4 is a complex semiconducting sulfide that represents an intriguing intersection of rare-earth chemistry and transition metal behavior. Its position near the thermodynamic stability hull suggests that it is a viable candidate for experimental synthesis and structural characterization.
As a material with multiple reported structural configurations, it serves as a subject of interest for researchers exploring the relationship between crystal symmetry and electronic properties. Its semiconducting nature makes it a candidate for specialized electronic or optical components where specific band characteristics are required.
Key Properties
Cross-validated computational properties for Y2MnS4, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Y2MnS4. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Y2MnS4, 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. |
|---|---|---|---|---|---|
| — | — | 1.09 | 0.0000 | -1.806 | — |
| Cmc21 (No. 36) | orthorhombic | 0.70 | 0.0191 | -14.501 | 3.97 |
| Cmc21 (No. 36) | orthorhombic | 0.06 | 0.0208 | -1.763 | — |
| Cmc21 (No. 36) | orthorhombic | — | — | — | 3.95 |
| Cmc21 (No. 36) | orthorhombic | — | — | — | 3.99 |
| Cmc21 (No. 36) | orthorhombic | — | — | — | 4.00 |
Applications
Where Y2MnS4 is used.
Frequently Asked Questions
Common questions about Y2MnS4, answered from cross-validated data.
What is Y2MnS4?
Y2MnS4 is a semiconducting ternary sulfide compound that is considered a promising candidate for synthesis due to its favorable thermodynamic stability.
What is Y2MnS4 used for?
What is the band gap of Y2MnS4?
Is Y2MnS4 a metal, semiconductor, or insulator?
Is Y2MnS4 thermodynamically stable?
What is the crystal structure of Y2MnS4?
What is the density of Y2MnS4?
How many polymorphs of Y2MnS4 are known?
What elements does Y2MnS4 contain?
Where does the data for Y2MnS4 come from?
How It Compares
As a member of the ternary sulfide family, Y2MnS4 occupies a niche position where its stability and structural diversity allow for systematic investigation into how rare-earth elements influence the electronic landscape of transition metal sulfides.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze Y2MnS4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →