Li8P4Sr4

Li8P4Sr4 is a thermodynamically stable, semiconducting crystalline compound containing lithium, phosphorus, and strontium.

LiPSr
Overview

About Li8P4Sr4

Li8P4Sr4 is a complex inorganic compound composed of lithium, phosphorus, and strontium. As a thermodynamically stable material residing on the convex hull, it represents a robust phase within its compositional space, offering a reliable framework for further investigation into its physical properties.

This material exhibits semiconducting electronic behavior, which makes it an intriguing candidate for specialized electronic applications. Its existence across multiple structural databases underscores its significance as a well-defined crystalline phase in modern materials research.

At a glance

Key Properties

Cross-validated computational properties for Li8P4Sr4, aggregated across 3 databases.

Band Gap

0.98 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

3
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Li8P4Sr4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
R-3m (No. 166)trigonal0.980.0000-7.0613.10
2.41
Pnma (No. 62)
Uses

Applications

Where Li8P4Sr4 is used.

Semiconductor researchSolid-state chemistryMaterials science exploration
Reference

Frequently Asked Questions

Common questions about Li8P4Sr4, answered from cross-validated data.

What is Li8P4Sr4?

Li8P4Sr4 is a thermodynamically stable, semiconducting crystalline compound containing lithium, phosphorus, and strontium.

More questions
What is Li8P4Sr4 used for?
Li8P4Sr4 is used in semiconductor research, solid-state chemistry, and materials science exploration.
What is the band gap of Li8P4Sr4?
Li8P4Sr4 has a DFT-computed band gap of 0.98 eV across 3 reported structures.
Is Li8P4Sr4 a metal, semiconductor, or insulator?
With a band gap up to 0.98 eV it is a semiconductor.
Is Li8P4Sr4 thermodynamically stable?
Yes — Li8P4Sr4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Li8P4Sr4?
The lowest-energy reported polymorph of Li8P4Sr4 is trigonal symmetry, space group R-3m (No. 166).
What is the density of Li8P4Sr4?
The computed density of the ground-state structure of Li8P4Sr4 is 3.10 g/cm³.
How many polymorphs of Li8P4Sr4 are known?
3 structures of Li8P4Sr4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Li8P4Sr4 contain?
Li8P4Sr4 contains Li, P, and Sr (3 elements).
Where does the data for Li8P4Sr4 come from?
Li8P4Sr4 data is cross-referenced from materials_project, omat24, aflow.
Comparison

How It Compares

As a unique ternary phase, Li8P4Sr4 serves as a foundational example of how alkaline earth metals and lithium can integrate with phosphorus to form stable, semiconducting architectures without requiring the complex doping often seen in other material systems.

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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