AsS2Sr
This compound is a complex inorganic sulfide containing strontium and arsenic. It is primarily studied in the context of solid-state chemistry and materials science research regarding chalcogenide structures.
Key Properties
Cross-validated computational properties for AsS2Sr, 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 AsS2Sr, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 1.72 | 0.0380 | -11.742 | 3.36 |
| — | — | — | — | — | 4.29 |
| R-3m (No. 166) | — | — | — | — | — |
Applications
Where AsS2Sr is used.
Frequently Asked Questions
Common questions about AsS2Sr, answered from cross-validated data.
What is AsS2Sr?
This compound is a complex inorganic sulfide containing strontium and arsenic. It is primarily studied in the context of solid-state chemistry and materials science research regarding chalcogenide structures.
What is AsS2Sr used for?
What is the band gap of AsS2Sr?
Is AsS2Sr a metal, semiconductor, or insulator?
Is AsS2Sr thermodynamically stable?
What is the crystal structure of AsS2Sr?
What is the density of AsS2Sr?
How many polymorphs of AsS2Sr are known?
What elements does AsS2Sr contain?
Where does the data for AsS2Sr come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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