Ho2S3
Ho2S3 is a stable holmium sulfide semiconductor used in materials science research.
About Ho2S3
Ho2S3 is a binary sulfide compound composed of holmium and sulfur. As a thermodynamically stable phase located on the convex hull, it represents a robust material configuration that has been extensively documented across multiple structural databases.
This material exhibits semiconducting electronic behavior, making it a subject of interest for fundamental studies in rare-earth chalcogenides. Its stability and well-defined structural characteristics provide a reliable foundation for exploring the optoelectronic potential of lanthanide-based sulfides.
Key Properties
Cross-validated computational properties for Ho2S3, aggregated across 4 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Ho2S3. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Ho2S3, 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. |
|---|---|---|---|---|---|
| — | — | 2.34 | 0.0000 | -2.262 | — |
| P21/m (No. 11) | monoclinic | 1.46 | 0.0000 | -20.349 | 6.05 |
| Pnma (No. 62) | orthorhombic | 0.65 | 0.0000 | -2.250 | — |
| — | — | 1.93 | 0.0075 | -2.254 | — |
| R-3c (No. 167) | trigonal | 2.47 | 0.0080 | -20.341 | 5.69 |
| Pnma (No. 62) | orthorhombic | 0.61 | 0.0106 | -20.339 | 6.69 |
| P21/m (No. 11) | monoclinic | 1.47 | 0.0122 | -2.238 | — |
| — | — | 1.53 | 0.0127 | -2.249 | — |
| — | — | 0.83 | 0.0206 | -2.241 | — |
| — | — | 2.62 | 0.0249 | -2.237 | — |
| R-3c (No. 167) | trigonal | 2.54 | 0.0334 | -2.217 | — |
| I-42d (No. 122) | tetragonal | 1.93 | 0.0347 | -20.315 | 6.65 |
Applications
Where Ho2S3 is used.
Frequently Asked Questions
Common questions about Ho2S3, answered from cross-validated data.
What is Ho2S3?
Ho2S3 is a stable holmium sulfide semiconductor used in materials science research.
What is Ho2S3 used for?
What is the band gap of Ho2S3?
Is Ho2S3 a metal, semiconductor, or insulator?
Is Ho2S3 thermodynamically stable?
What is the crystal structure of Ho2S3?
What is the density of Ho2S3?
How many polymorphs of Ho2S3 are known?
What elements does Ho2S3 contain?
Where does the data for Ho2S3 come from?
How It Compares
As a stable binary sulfide, Ho2S3 serves as a representative example of the rare-earth sulfide family, demonstrating the structural versatility and electronic consistency typical of this class of materials.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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