Er3ScS6
Er3ScS6 is a semiconducting sulfide compound that is theoretically stable enough to be synthesized for advanced materials research.
About Er3ScS6
Er3ScS6 is a complex sulfide material characterized by its semiconducting electronic nature. Its structural configuration and composition place it in a category of materials often investigated for their potential in specialized optoelectronic or solid-state applications.
As a material positioned near the thermodynamic hull, Er3ScS6 is considered a likely candidate for successful experimental synthesis. Its presence across multiple structural databases highlights its significance as a subject of ongoing computational and materials science exploration.
Key Properties
Cross-validated computational properties for Er3ScS6, 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 Er3ScS6, 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/m (No. 11) | monoclinic | 1.02 | 0.0043 | -18.451 | 5.68 |
| P21/m (No. 11) | monoclinic | 1.03 | 0.0146 | -18.441 | 5.67 |
| P21/m (No. 11) | monoclinic | 1.05 | 0.0723 | -18.383 | 5.53 |
| P21/m (No. 11) | Monoclinic | — | — | — | 5.61 |
| P21/m (No. 11) | Monoclinic | — | — | — | 5.69 |
| P21/m (No. 11) | Monoclinic | — | — | — | 5.67 |
| P21/m (No. 11) | — | — | — | — | — |
| P21/m (No. 11) | — | — | — | — | — |
Applications
Where Er3ScS6 is used.
Frequently Asked Questions
Common questions about Er3ScS6, answered from cross-validated data.
What is Er3ScS6?
Er3ScS6 is a semiconducting sulfide compound that is theoretically stable enough to be synthesized for advanced materials research.
What is Er3ScS6 used for?
What is the band gap of Er3ScS6?
Is Er3ScS6 a metal, semiconductor, or insulator?
Is Er3ScS6 thermodynamically stable?
What is the crystal structure of Er3ScS6?
What is the density of Er3ScS6?
How many polymorphs of Er3ScS6 are known?
What elements does Er3ScS6 contain?
Where does the data for Er3ScS6 come from?
How It Compares
As a member of the rare-earth scandium sulfide family, Er3ScS6 occupies a unique position where its stability and electronic properties make it a notable subject for study within its class of complex chalcogenides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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