CaS2Sr
This compound is a mixed-cation sulfide material consisting of calcium, strontium, and sulfur. It is primarily studied for its potential properties as a luminescent host material or as a component in specialized electronic and optical thin-film applications.
Key Properties
Cross-validated computational properties for CaS2Sr, 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 CaS2Sr, 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. |
|---|---|---|---|---|---|
| P4/mmm (No. 123) | tetragonal | 2.42 | 0.0295 | -11.964 | 3.10 |
| — | — | — | — | — | — |
| — | — | — | — | — | — |
| — | — | — | — | — | — |
| — | — | — | — | — | 2.21 |
Applications
Where CaS2Sr is used.
Frequently Asked Questions
Common questions about CaS2Sr, answered from cross-validated data.
What is CaS2Sr?
This compound is a mixed-cation sulfide material consisting of calcium, strontium, and sulfur. It is primarily studied for its potential properties as a luminescent host material or as a component in specialized electronic and optical thin-film applications.
What is CaS2Sr used for?
What is the band gap of CaS2Sr?
Is CaS2Sr a metal, semiconductor, or insulator?
Is CaS2Sr thermodynamically stable?
What is the crystal structure of CaS2Sr?
What is the density of CaS2Sr?
How many polymorphs of CaS2Sr are known?
What elements does CaS2Sr contain?
Where does the data for CaS2Sr come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- alexandria — Data from alexandria.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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