LaS
LaS is a thermodynamically stable semiconducting binary compound composed of lanthanum and sulfur.
About LaS
LaS is a binary lanthanum sulfide that exists as a thermodynamically stable phase on the convex hull. Its electronic character is defined as semiconducting, making it an interesting subject for studies regarding electronic structure and chemical bonding in rare-earth chalcogenides. The compound is notably data-rich, with dozens of reported structures documented across major materials databases, reflecting its significance in structural research. This extensive characterization underscores its role as a fundamental building block for understanding the behavior of lanthanum-based materials in various chemical environments.
Key Properties
Cross-validated computational properties for LaS, 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 LaS. 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 LaS, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -21.320 | 5.58 |
| Cmce (No. 64) | orthorhombic | 0.00 | 0.2798 | -21.040 | 3.79 |
| P4/nmm (No. 129) | tetragonal | 0.00 | 0.2819 | -21.038 | 3.22 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.3196 | -21.000 | 6.21 |
| Pmm2 (No. 25) | orthorhombic | 0.63 | 2.6689 | -18.651 | 0.04 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 4.78 |
| Fm-3m (No. 225) | Cubic | — | — | — | 5.56 |
| No. 0 | unknown | — | — | — | 1.42 |
| Fm-3m (No. 225) | — | — | — | — | — |
| Pm-3m (No. 221) | — | — | — | — | — |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 4.23 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.82 |
Frequently Asked Questions
Common questions about LaS, answered from cross-validated data.
What is LaS?
LaS is a thermodynamically stable semiconducting binary compound composed of lanthanum and sulfur.
What is the band gap of LaS?
Is LaS a metal, semiconductor, or insulator?
Is LaS thermodynamically stable?
What is the crystal structure of LaS?
What is the density of LaS?
How many polymorphs of LaS are known?
What elements does LaS contain?
Where does the data for LaS come from?
How It Compares
As a stable binary sulfide, LaS serves as a primary reference point for investigating the structural diversity and electronic properties of lanthanum chalcogenides, providing a baseline for understanding how these elements interact in solid-state configurations.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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