Er4Mg2Se8
Er4Mg2Se8 is a semiconducting ternary compound containing erbium, magnesium, and selenium that is considered a viable target for experimental synthesis.
About Er4Mg2Se8
Er4Mg2Se8 is a complex ternary chalcogenide composed of erbium, magnesium, and selenium. Its electronic structure characterizes it as a semiconductor, positioning it as a potential candidate for specialized optoelectronic or thermoelectric applications where rare-earth-based materials are required.
As a near-hull compound, it exhibits thermodynamic stability that suggests it is likely synthesizable under controlled laboratory conditions. With multiple reported structures across databases, it represents a significant, albeit niche, entry in the study of ternary selenide frameworks.
Key Properties
Cross-validated computational properties for Er4Mg2Se8, 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 Er4Mg2Se8, 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. |
|---|---|---|---|---|---|
| Fd-3m (No. 227) | cubic | 1.33 | 0.0062 | -5.492 | 5.83 |
| Pnma (No. 62) | orthorhombic | 2.08 | 0.0298 | -5.468 | 5.73 |
| Pca21 (No. 29) | orthorhombic | 1.15 | 0.0421 | -5.456 | 6.47 |
| Pnma (No. 62) | orthorhombic | 1.55 | 0.0743 | -5.424 | 6.18 |
| I-42d (No. 122) | tetragonal | 2.02 | 0.1076 | -5.391 | 6.90 |
| P-1 (No. 2) | triclinic | 2.24 | 0.1946 | -5.304 | 5.17 |
| Pnma (No. 62) | orthorhombic | 1.26 | 0.2536 | -5.245 | 5.96 |
| — | — | — | — | — | 4.85 |
| Fd-3m (No. 227) | — | — | — | — | — |
Applications
Where Er4Mg2Se8 is used.
Frequently Asked Questions
Common questions about Er4Mg2Se8, answered from cross-validated data.
What is Er4Mg2Se8?
Er4Mg2Se8 is a semiconducting ternary compound containing erbium, magnesium, and selenium that is considered a viable target for experimental synthesis.
What is Er4Mg2Se8 used for?
What is the band gap of Er4Mg2Se8?
Is Er4Mg2Se8 a metal, semiconductor, or insulator?
Is Er4Mg2Se8 thermodynamically stable?
What is the crystal structure of Er4Mg2Se8?
What is the density of Er4Mg2Se8?
How many polymorphs of Er4Mg2Se8 are known?
What elements does Er4Mg2Se8 contain?
Where does the data for Er4Mg2Se8 come from?
How It Compares
As a unique ternary selenide, Er4Mg2Se8 serves as an exploratory material within the broader landscape of rare-earth chalcogenides, offering a distinct structural arrangement that differentiates it from simpler binary or common ternary metal selenides.
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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