Er2Se3
Er2Se3 is a stable semiconducting compound formed from erbium and selenium that is frequently studied for its structural properties.
About Er2Se3
Er2Se3 is a binary chalcogenide compound composed of erbium and selenium. As a thermodynamically stable material residing on the convex hull, it exhibits robust structural integrity, which makes it a compelling subject for materials research within the broader category of rare-earth selenides. Its electronic character as a semiconductor suggests potential utility in specialized optoelectronic or sensing applications where precise control over charge carrier behavior is required. The existence of multiple reported structural phases across various databases underscores its versatility and the significant interest it has garnered within the solid-state chemistry community.
Key Properties
Cross-validated computational properties for Er2Se3, 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 Er2Se3, 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. |
|---|---|---|---|---|---|
| Fddd (No. 70) | orthorhombic | 0.79 | 0.0000 | -24.331 | 6.78 |
| P-4m2 (No. 115) | tetragonal | 0.23 | 0.0747 | -24.256 | 7.70 |
| I-42d (No. 122) | tetragonal | 1.67 | 0.0756 | -24.255 | 7.86 |
| P-4m2 (No. 115) | — | — | — | — | — |
| P-4m2 (No. 115) | Tetragonal | — | — | — | 7.56 |
| P-4m2 (No. 115) | Tetragonal | — | — | — | 7.75 |
| P-4m2 (No. 115) | Tetragonal | — | — | — | 7.68 |
Applications
Where Er2Se3 is used.
Frequently Asked Questions
Common questions about Er2Se3, answered from cross-validated data.
What is Er2Se3?
Er2Se3 is a stable semiconducting compound formed from erbium and selenium that is frequently studied for its structural properties.
What is Er2Se3 used for?
What is the band gap of Er2Se3?
Is Er2Se3 a metal, semiconductor, or insulator?
Is Er2Se3 thermodynamically stable?
What is the crystal structure of Er2Se3?
What is the density of Er2Se3?
How many polymorphs of Er2Se3 are known?
What elements does Er2Se3 contain?
Where does the data for Er2Se3 come from?
How It Compares
As a stable binary rare-earth chalcogenide, Er2Se3 serves as a foundational example of the structural diversity found in lanthanide-based semiconductors, providing a baseline for understanding how heavy rare-earth elements influence the electronic and physical properties of selenium-based frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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