AsSSm
AsSSm is a thermodynamically stable, semimetallic ternary compound composed of arsenic, sulfur, and samarium.
About AsSSm
AsSSm is a ternary inorganic compound composed of arsenic, sulfur, and samarium. It is characterized by its position on the convex hull, indicating it is a thermodynamically stable phase within its chemical system.
Electrically, this material exhibits a near-zero-gap profile, placing it in the semimetallic category. Its specific electronic structure makes it a subject of interest for researchers exploring complex chalcogenide systems with tunable conductive properties.
Key Properties
Cross-validated computational properties for AsSSm, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of AsSSm. 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 AsSSm, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.03 | 0.0000 | -6.241 | 6.48 |
| Pnma (No. 62) | orthorhombic | 0.04 | 0.0008 | -6.240 | 6.45 |
| P4/nmm (No. 129) | tetragonal | 0.00 | 0.0177 | -6.223 | 6.45 |
| — | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.66 |
Frequently Asked Questions
Common questions about AsSSm, answered from cross-validated data.
What is AsSSm?
AsSSm is a thermodynamically stable, semimetallic ternary compound composed of arsenic, sulfur, and samarium.
What is the band gap of AsSSm?
Is AsSSm a metal, semiconductor, or insulator?
Is AsSSm thermodynamically stable?
What is the crystal structure of AsSSm?
What is the density of AsSSm?
How many polymorphs of AsSSm are known?
What elements does AsSSm contain?
Where does the data for AsSSm come from?
How It Compares
As a distinct ternary phase, AsSSm represents a unique structural arrangement of arsenic, sulfur, and samarium that maintains thermodynamic stability, serving as a foundational reference point for studying similar rare-earth chalcogenide systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- alexandria — Data from alexandria.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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