LaP2
LaP2 is a stable semiconducting compound composed of lanthanum and phosphorus.
About LaP2
LaP2 is a binary lanthanum phosphide that exhibits semiconducting electronic behavior. As a thermodynamically stable compound residing on the convex hull, it represents a robust phase within the lanthanum-phosphorus system.
This material is characterized by a high degree of structural diversity, with numerous reported configurations across various databases. Its stability and electronic nature make it a subject of interest for researchers investigating the fundamental properties of rare-earth pnictides.
Key Properties
Cross-validated computational properties for LaP2, aggregated across 5 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 LaP2. 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 LaP2, 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. |
|---|---|---|---|---|---|
| Cc (No. 9) | monoclinic | 0.56 | 0.0000 | -17.177 | 4.79 |
| P21/m (No. 11) | Monoclinic | — | — | — | 3.58 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.92 |
| Pm (No. 6) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 6.02 |
| Cc (No. 9) | Monoclinic | — | — | — | 4.81 |
| Cc (No. 9) | Monoclinic | — | — | — | 4.82 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.31 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.91 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.04 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.65 |
Applications
Where LaP2 is used.
Frequently Asked Questions
Common questions about LaP2, answered from cross-validated data.
What is LaP2?
LaP2 is a stable semiconducting compound composed of lanthanum and phosphorus.
What is LaP2 used for?
What is the band gap of LaP2?
Is LaP2 a metal, semiconductor, or insulator?
Is LaP2 thermodynamically stable?
What is the crystal structure of LaP2?
What is the density of LaP2?
How many polymorphs of LaP2 are known?
What elements does LaP2 contain?
Where does the data for LaP2 come from?
How It Compares
As a distinct lanthanum phosphide, LaP2 serves as a foundational reference point for understanding the phase stability and electronic trends within the broader family of rare-earth binary phosphides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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