NdS2Tm
NdS2Tm is a stable, semiconducting ternary compound containing neodymium, sulfur, and thulium.
About NdS2Tm
NdS2Tm is a complex ternary compound composed of neodymium, sulfur, and thulium. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions.
This material exhibits semiconducting electronic characteristics, making it an intriguing candidate for specialized electronic and optoelectronic applications. Its existence across multiple crystallographic databases highlights its significance as a well-defined subject within inorganic materials science.
Key Properties
Cross-validated computational properties for NdS2Tm, 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 NdS2Tm, 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 | 0.0000 | -20.695 | 6.85 |
| — | — | — | — | — | 7.00 |
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Applications
Where NdS2Tm is used.
Frequently Asked Questions
Common questions about NdS2Tm, answered from cross-validated data.
What is NdS2Tm?
NdS2Tm is a stable, semiconducting ternary compound containing neodymium, sulfur, and thulium.
What is NdS2Tm used for?
What is the band gap of NdS2Tm?
Is NdS2Tm a metal, semiconductor, or insulator?
Is NdS2Tm thermodynamically stable?
What is the crystal structure of NdS2Tm?
What is the density of NdS2Tm?
How many polymorphs of NdS2Tm are known?
What elements does NdS2Tm contain?
Where does the data for NdS2Tm come from?
How It Compares
As a distinct ternary phase, NdS2Tm occupies a unique position in the landscape of rare-earth chalcogenides. Without direct structural siblings in this specific grouping, it serves as an important reference point for understanding how the interplay between neodymium and thulium influences the electronic behavior of sulfur-based frameworks.
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).
- alexandria — Data from alexandria.
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