Er2S3
erbium sulfide · erbium(III) sulfide
Erbium sulfide is a binary inorganic compound composed of erbium and sulfur. It is primarily utilized in specialized materials science research and as a precursor for the synthesis of advanced optical or electronic materials.
ErS
Overview
Key Properties
Cross-validated computational properties for erbium sulfide, 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.
0.63–1.97 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
10
3 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Er2S3, 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 | 1.47 | 0.0000 | -20.757 | 6.20 |
| P21/m (No. 11) | monoclinic | 1.16 | 0.0069 | -20.750 | 6.39 |
| Pnma (No. 62) | orthorhombic | 0.63 | 0.0143 | -20.742 | 6.86 |
| I-42d (No. 122) | tetragonal | 1.97 | 0.0410 | -20.716 | 6.81 |
| P21/m (No. 11) | — | — | — | — | — |
| P21/m (No. 11) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 7.32 |
| P1 (No. 1) | Triclinic | — | — | — | 5.47 |
| P1 (No. 1) | Triclinic | — | — | — | 5.74 |
| Pnma (No. 62) | — | — | — | — | — |
Uses
Applications
Where erbium sulfide is used.
semiconductor researchoptical material developmentchemical vapor deposition precursor
Reference
Frequently Asked Questions
Common questions about erbium sulfide, answered from cross-validated data.
What is Er2S3?
Erbium sulfide is a binary inorganic compound composed of erbium and sulfur. It is primarily utilized in specialized materials science research and as a precursor for the synthesis of advanced optical or electronic materials.
More questions
What is Er2S3 used for?
erbium sulfide (Er2S3) is used in semiconductor research, optical material development, and chemical vapor deposition precursor.
What is the band gap of Er2S3?
erbium sulfide (Er2S3) has a DFT-computed band gap of 0.63–1.97 eV across 10 reported structures.
Is Er2S3 a metal, semiconductor, or insulator?
With a band gap up to 1.97 eV it is a semiconductor.
Is Er2S3 thermodynamically stable?
Yes — erbium sulfide (Er2S3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Er2S3?
The lowest-energy reported polymorph of erbium sulfide (Er2S3) is monoclinic symmetry, space group P21/m (No. 11).
What is the density of Er2S3?
The computed density of the ground-state structure of erbium sulfide (Er2S3) is 6.20 g/cm³.
How many polymorphs of Er2S3 are known?
10 structures of Er2S3 are reported across 3 databases, spanning 4 distinct space groups.
What elements does Er2S3 contain?
erbium sulfide (Er2S3) contains Er and S (2 elements).
Where does the data for Er2S3 come from?
Er2S3 data is cross-referenced from materials_project, jarvis, mpaloe.
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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