Li2P2Sr2
Li2P2Sr2 is a stable, semiconducting ternary compound consisting of lithium, phosphorus, and strontium.
About Li2P2Sr2
Li2P2Sr2 is a complex ternary compound composed of lithium, phosphorus, and strontium. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that is of significant interest for fundamental solid-state studies.
Exhibiting semiconducting electronic character, this material occupies a unique niche in inorganic chemistry. Its existence across multiple reported structures highlights its structural versatility and potential for further investigation in specialized electronic applications.
Key Properties
Cross-validated computational properties for Li2P2Sr2, 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.
Reported Structures
Lowest-energy structures reported for Li2P2Sr2, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 1.34 | 0.0000 | -9.980 | 3.13 |
| P-6m2 (No. 187) | hexagonal | 0.81 | 0.0796 | -9.900 | 3.06 |
| — | — | — | — | — | 3.10 |
| P63/mmc (No. 194) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| P42/mmc (No. 131) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Li2P2Sr2, answered from cross-validated data.
What is Li2P2Sr2?
Li2P2Sr2 is a stable, semiconducting ternary compound consisting of lithium, phosphorus, and strontium.
What is the band gap of Li2P2Sr2?
Is Li2P2Sr2 a metal, semiconductor, or insulator?
Is Li2P2Sr2 thermodynamically stable?
What is the crystal structure of Li2P2Sr2?
What is the density of Li2P2Sr2?
How many polymorphs of Li2P2Sr2 are known?
What elements does Li2P2Sr2 contain?
Where does the data for Li2P2Sr2 come from?
How It Compares
As a unique ternary phase, Li2P2Sr2 serves as a foundational example of how alkaline earth and alkali metals can integrate with pnictogens to form stable semiconducting architectures in the absence of more common structural analogs.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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