LiP
LiP is a stable, semiconducting binary compound composed of lithium and phosphorus.
About LiP
LiP is a binary lithium phosphide compound that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of lithium and phosphorus atoms.
Its structural landscape is highly diverse, supported by an extensive collection of reported configurations across multiple databases. This wealth of structural data makes it a significant subject for researchers investigating the fundamental properties of alkali metal phosphides.
Key Properties
Cross-validated computational properties for LiP, 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 LiP. 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 LiP, 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. |
|---|---|---|---|---|---|
| — | — | 0.93 | 0.0000 | -0.654 | — |
| P21/c (No. 14) | monoclinic | 0.92 | 0.0000 | -0.593 | — |
| P21/c (No. 14) | monoclinic | 0.81 | 0.0000 | -6.311 | 2.03 |
| — | — | 0.00 | 0.1588 | -0.495 | — |
| — | — | 0.00 | 0.1904 | -0.464 | — |
| C2/m (No. 12) | monoclinic | 0.00 | 0.2773 | -0.315 | — |
| — | — | 0.00 | 0.2776 | -0.377 | — |
| — | — | 0.00 | 0.2997 | -0.354 | — |
| — | — | 0.00 | 0.3412 | -0.313 | — |
| P4/nmm (No. 129) | tetragonal | 0.00 | 0.4350 | -0.158 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.4503 | -0.142 | — |
| — | — | 0.00 | 0.6511 | -0.003 | — |
Frequently Asked Questions
Common questions about LiP, answered from cross-validated data.
What is LiP?
LiP is a stable, semiconducting binary compound composed of lithium and phosphorus.
What is the band gap of LiP?
Is LiP a metal, semiconductor, or insulator?
Is LiP thermodynamically stable?
What is the crystal structure of LiP?
How many polymorphs of LiP are known?
What elements does LiP contain?
Where does the data for LiP come from?
How It Compares
As a distinct binary phosphide, LiP serves as a fundamental reference point for understanding the bonding and electronic characteristics of lithium-based semiconductor materials.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze LiP in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →