CaSn2S5
Calcium tin sulfide is a complex ternary chalcogenide material characterized by its specific crystalline structure. It is primarily studied in materials science research for its potential semiconducting properties and its role in exploring new inorganic compounds for optoelectronic applications.
Key Properties
Cross-validated computational properties for CaSn2S5, aggregated across 2 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 CaSn2S5, 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. |
|---|---|---|---|---|---|
| Pbam (No. 55) | orthorhombic | 0.82 | 0.0850 | -4.887 | 3.74 |
| P-1 (No. 2) | triclinic | 0.84 | 0.0930 | -4.879 | 3.63 |
| P-1 (No. 2) | triclinic | 0.83 | 0.0937 | -4.879 | 3.60 |
| Pmmn (No. 59) | orthorhombic | 0.42 | 0.1339 | -4.838 | 3.52 |
| P21/c (No. 14) | monoclinic | 1.25 | 0.1673 | -4.805 | 3.15 |
| Cmce (No. 64) | orthorhombic | 0.33 | 0.1675 | -4.805 | 3.35 |
| Fd-3m (No. 227) | cubic | 1.59 | 0.1889 | -4.783 | 3.23 |
| Pnma (No. 62) | orthorhombic | 0.98 | 0.1943 | -4.778 | 2.97 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.2807 | -4.692 | 3.60 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 3.52 |
| Fd-3m (No. 227) | Cubic | — | — | — | 3.23 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 3.59 |
Applications
Where CaSn2S5 is used.
Frequently Asked Questions
Common questions about CaSn2S5, answered from cross-validated data.
What is CaSn2S5?
Calcium tin sulfide is a complex ternary chalcogenide material characterized by its specific crystalline structure. It is primarily studied in materials science research for its potential semiconducting properties and its role in exploring new inorganic compounds for optoelectronic applications.
What is CaSn2S5 used for?
What is the band gap of CaSn2S5?
Is CaSn2S5 a metal, semiconductor, or insulator?
Is CaSn2S5 thermodynamically stable?
What is the crystal structure of CaSn2S5?
What is the density of CaSn2S5?
How many polymorphs of CaSn2S5 are known?
What elements does CaSn2S5 contain?
Where does the data for CaSn2S5 come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
Analyze CaSn2S5 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →