Cl2Er2S2
Cl2Er2S2 is a thermodynamically stable, semiconducting compound containing erbium, chlorine, and sulfur.
About Cl2Er2S2
Cl2Er2S2 is a complex inorganic compound composed of erbium, chlorine, and sulfur. As a semiconducting material that resides on the thermodynamic convex hull, it exhibits notable structural stability, making it a subject of interest for researchers investigating rare-earth chalcogenide halides.
Its electronic character suggests potential utility in specialized optoelectronic or solid-state applications where stable, semiconducting rare-earth frameworks are required. The material is characterized by its distinct structural arrangements, with multiple reported configurations across scientific databases.
Key Properties
Cross-validated computational properties for Cl2Er2S2, 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 Cl2Er2S2, 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. |
|---|---|---|---|---|---|
| Pmmn (No. 59) | orthorhombic | 2.93 | 0.0000 | -18.495 | 4.76 |
| — | — | — | — | — | 4.37 |
| Pmmn (No. 59) | — | — | — | — | — |
Applications
Where Cl2Er2S2 is used.
Frequently Asked Questions
Common questions about Cl2Er2S2, answered from cross-validated data.
What is Cl2Er2S2?
Cl2Er2S2 is a thermodynamically stable, semiconducting compound containing erbium, chlorine, and sulfur.
What is Cl2Er2S2 used for?
What is the band gap of Cl2Er2S2?
Is Cl2Er2S2 a metal, semiconductor, or insulator?
Is Cl2Er2S2 thermodynamically stable?
What is the crystal structure of Cl2Er2S2?
What is the density of Cl2Er2S2?
How many polymorphs of Cl2Er2S2 are known?
What elements does Cl2Er2S2 contain?
Where does the data for Cl2Er2S2 come from?
How It Compares
As a unique ternary rare-earth chalcogenide halide, Cl2Er2S2 serves as a foundational example of how combining lanthanide elements with both chalcogens and halogens creates stable, semiconducting architectures that differ significantly from simple binary sulfides or chlorides.
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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