Na1Pb2Sr1

Na1Pb2Sr1 is a semiconducting ternary intermetallic compound formed from sodium, lead, and strontium.

NaPbSr
Crystal structure of Na1Pb2Sr1 (orthorhombic, Immm (No. 71))
Ground-state structure · Materials Project
Overview

About Na1Pb2Sr1

Na1Pb2Sr1 is a ternary intermetallic compound composed of sodium, lead, and strontium. It exhibits semiconducting electronic character, positioning it as an interesting subject for fundamental studies in solid-state physics and materials science.

Due to its position above the thermodynamic hull, this material is considered metastable. Despite this, it has been identified across multiple structural configurations, reflecting the complex bonding interactions present between the alkali, alkaline earth, and heavy metal components.

At a glance

Key Properties

Cross-validated computational properties for Na1Pb2Sr1, aggregated across 2 databases.

Band Gap

0.14 eV
Range across DFT structures

Energy Above Hull

1.440 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

25
2 databases, 15 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Na1Pb2Sr1, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Immm (No. 71)orthorhombic0.141.4396-31.8660.51
P4/mmm (No. 123)
P4mm (No. 99)
Imm2 (No. 44)
Fm-3m (No. 225)
I-4m2 (No. 119)
P4mm (No. 99)
P4/mmm (No. 123)
Cm (No. 8)
F-43m (No. 216)
P2/m (No. 10)
Cmmm (No. 65)
Reference

Frequently Asked Questions

Common questions about Na1Pb2Sr1, answered from cross-validated data.

What is Na1Pb2Sr1?

Na1Pb2Sr1 is a semiconducting ternary intermetallic compound formed from sodium, lead, and strontium.

More questions
What is the band gap of Na1Pb2Sr1?
Na1Pb2Sr1 has a DFT-computed band gap of 0.14 eV across 25 reported structures.
Is Na1Pb2Sr1 a metal, semiconductor, or insulator?
With a band gap up to 0.14 eV it is a semiconductor.
Is Na1Pb2Sr1 thermodynamically stable?
Na1Pb2Sr1 has a lowest energy above hull of 1.440 eV/atom (above hull).
What is the crystal structure of Na1Pb2Sr1?
The lowest-energy reported polymorph of Na1Pb2Sr1 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Na1Pb2Sr1?
The computed density of the ground-state structure of Na1Pb2Sr1 is 0.51 g/cm³.
How many polymorphs of Na1Pb2Sr1 are known?
25 structures of Na1Pb2Sr1 are reported across 2 databases, spanning 15 distinct space groups.
What elements does Na1Pb2Sr1 contain?
Na1Pb2Sr1 contains Na, Pb, and Sr (3 elements).
Where does the data for Na1Pb2Sr1 come from?
Na1Pb2Sr1 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

As a unique ternary phase within this specific chemical system, Na1Pb2Sr1 represents a distinct structural arrangement that highlights the diverse bonding possibilities between sodium, lead, and strontium. It serves as a case study for understanding how these elements interact to form semiconducting phases outside of the ground-state equilibrium.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).

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