As2La
As2La is a stable, semiconducting binary compound composed of lanthanum and arsenic.
About As2La
As2La is a lanthanum-based arsenide that exhibits semiconducting electronic properties. As a thermodynamically stable compound residing on the convex hull, it represents a robust phase within its binary system, characterized by well-defined structural arrangements.
Its significance lies in its stability and electronic nature, making it a subject of interest for fundamental materials research. The compound is documented across multiple databases, reflecting its status as a recognized phase in inorganic chemistry.
Key Properties
Cross-validated computational properties for As2La, 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 As2La. 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 As2La, 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/c (No. 14) | monoclinic | 0.18 | 0.0000 | -20.963 | 6.27 |
| Cc (No. 9) | monoclinic | 0.60 | 0.0007 | -20.963 | 6.26 |
| I4/mmm (No. 139) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.60 |
| — | — | — | — | — | 5.94 |
Applications
Where As2La is used.
Frequently Asked Questions
Common questions about As2La, answered from cross-validated data.
What is As2La?
As2La is a stable, semiconducting binary compound composed of lanthanum and arsenic.
What is As2La used for?
What is the band gap of As2La?
Is As2La a metal, semiconductor, or insulator?
Is As2La thermodynamically stable?
What is the crystal structure of As2La?
What is the density of As2La?
How many polymorphs of As2La are known?
What elements does As2La contain?
Where does the data for As2La come from?
How It Compares
As a binary lanthanum arsenide, As2La serves as a foundational example of stability within its chemical class, providing a benchmark for understanding how lanthanum and arsenic interact to form ordered, semiconducting crystalline phases.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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