Ca4SnS6
Ca4SnS6 is a semiconducting ternary sulfide compound containing calcium, tin, and sulfur that has been documented in various structural forms.
About Ca4SnS6
Ca4SnS6 is a ternary sulfide compound composed of calcium, tin, and sulfur. As a semiconducting material, it represents a complex arrangement of elements that has been the subject of multiple structural investigations across various databases.
While the compound is currently identified as being above the thermodynamic hull, its existence in multiple reported structures highlights its significance in the study of chalcogenide chemistry. It serves as a point of interest for researchers investigating the synthesis and stability of calcium-based tin sulfides.
Key Properties
Cross-validated computational properties for Ca4SnS6, 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 Ca4SnS6, 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-3c (No. 167) | trigonal | 1.63 | 0.1262 | -5.165 | 3.12 |
| Cc (No. 9) | monoclinic | 2.50 | 0.1462 | -5.145 | 2.49 |
| Cc (No. 9) | — | — | — | — | — |
| Cc (No. 9) | Monoclinic | — | — | — | 2.49 |
| R-3c (No. 167) | Trigonal | — | — | — | 3.16 |
| R-3c (No. 167) | Trigonal | — | — | — | 3.12 |
| Cc (No. 9) | Monoclinic | — | — | — | 2.52 |
| Cc (No. 9) | Monoclinic | — | — | — | 2.53 |
| R-3c (No. 167) | Trigonal | — | — | — | 3.15 |
| R-3c (No. 167) | — | — | — | — | — |
Applications
Where Ca4SnS6 is used.
Frequently Asked Questions
Common questions about Ca4SnS6, answered from cross-validated data.
What is Ca4SnS6?
Ca4SnS6 is a semiconducting ternary sulfide compound containing calcium, tin, and sulfur that has been documented in various structural forms.
What is Ca4SnS6 used for?
What is the band gap of Ca4SnS6?
Is Ca4SnS6 a metal, semiconductor, or insulator?
Is Ca4SnS6 thermodynamically stable?
What is the crystal structure of Ca4SnS6?
What is the density of Ca4SnS6?
How many polymorphs of Ca4SnS6 are known?
What elements does Ca4SnS6 contain?
Where does the data for Ca4SnS6 come from?
How It Compares
As a unique ternary sulfide, Ca4SnS6 occupies a specialized niche within the broader landscape of calcium-tin-sulfur compounds, serving as a distinct structural variant that contributes to the fundamental understanding of this chemical system.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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