Er4K4P8S28
Er4K4P8S28 is a stable semiconducting quaternary sulfide composed of erbium, potassium, phosphorus, and sulfur.
About Er4K4P8S28
Er4K4P8S28 is a complex quaternary sulfide containing erbium, potassium, phosphorus, and sulfur. As a thermodynamically stable phase residing on the convex hull, it represents a robust inorganic framework with well-defined structural characteristics. Its electronic character as a semiconductor makes it an intriguing candidate for specialized materials research. The compound is notable for its structural diversity, appearing across multiple databases as a distinct crystalline phase. This stability suggests potential for integration into advanced solid-state devices where predictable material behavior is required.
Key Properties
Cross-validated computational properties for Er4K4P8S28, 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 Er4K4P8S28, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 2.67 | 0.0000 | -5.337 | 3.00 |
| — | — | — | — | — | 2.57 |
| P21/c (No. 14) | — | — | — | — | — |
Applications
Where Er4K4P8S28 is used.
Frequently Asked Questions
Common questions about Er4K4P8S28, answered from cross-validated data.
What is Er4K4P8S28?
Er4K4P8S28 is a stable semiconducting quaternary sulfide composed of erbium, potassium, phosphorus, and sulfur.
What is Er4K4P8S28 used for?
What is the band gap of Er4K4P8S28?
Is Er4K4P8S28 a metal, semiconductor, or insulator?
Is Er4K4P8S28 thermodynamically stable?
What is the crystal structure of Er4K4P8S28?
What is the density of Er4K4P8S28?
How many polymorphs of Er4K4P8S28 are known?
What elements does Er4K4P8S28 contain?
Where does the data for Er4K4P8S28 come from?
How It Compares
As a unique quaternary sulfide, Er4K4P8S28 serves as a representative example of complex chalcogenide chemistry. Within the broader landscape of rare-earth phosphorus sulfides, this compound stands out for its thermodynamic stability, which distinguishes it from more metastable or synthetic phases that often require precise conditions to stabilize.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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