Au1P1Sr2

Au1P1Sr2 is a semiconducting ternary phosphide compound composed of gold, phosphorus, and strontium.

AuPSr
Crystal structure of Au1P1Sr2 (orthorhombic, Immm (No. 71))
Ground-state structure · Materials Project
Overview

About Au1P1Sr2

Au1P1Sr2 is a complex phosphide compound containing gold and strontium. As a semiconducting material, it represents a niche area of inorganic chemistry where transition metals and alkaline earth elements combine to form unique electronic environments. Its structural diversity is highlighted by numerous reported configurations in crystallographic databases. Because it resides above the thermodynamic stability hull, this compound is considered metastable, making it a subject of interest for researchers studying synthesis pathways and phase stabilization. Its existence provides insight into the intricate bonding preferences found in ternary phosphide systems.

At a glance

Key Properties

Cross-validated computational properties for Au1P1Sr2, aggregated across 2 databases.

Band Gap

0.68 eV
Range across DFT structures

Energy Above Hull

1.431 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 13 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Au1P1Sr2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Immm (No. 71)orthorhombic0.681.4309-22.1140.51
I-4m2 (No. 119)
R3m (No. 160)
P4/mmm (No. 123)
P4/mmm (No. 123)
P4/mmm (No. 123)
Pmmm (No. 47)
P4/mmm (No. 123)
Pmmm (No. 47)
P4mm (No. 99)
C2/m (No. 12)
P4/mmm (No. 123)
Uses

Applications

Where Au1P1Sr2 is used.

Materials science researchSolid-state chemistry studiesSemiconductor development
Reference

Frequently Asked Questions

Common questions about Au1P1Sr2, answered from cross-validated data.

What is Au1P1Sr2?

Au1P1Sr2 is a semiconducting ternary phosphide compound composed of gold, phosphorus, and strontium.

More questions
What is Au1P1Sr2 used for?
Au1P1Sr2 is used in materials science research, solid-state chemistry studies, and semiconductor development.
What is the band gap of Au1P1Sr2?
Au1P1Sr2 has a DFT-computed band gap of 0.68 eV across 27 reported structures.
Is Au1P1Sr2 a metal, semiconductor, or insulator?
With a band gap up to 0.68 eV it is a semiconductor.
Is Au1P1Sr2 thermodynamically stable?
Au1P1Sr2 has a lowest energy above hull of 1.431 eV/atom (above hull).
What is the crystal structure of Au1P1Sr2?
The lowest-energy reported polymorph of Au1P1Sr2 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Au1P1Sr2?
The computed density of the ground-state structure of Au1P1Sr2 is 0.51 g/cm³.
How many polymorphs of Au1P1Sr2 are known?
27 structures of Au1P1Sr2 are reported across 2 databases, spanning 13 distinct space groups.
What elements does Au1P1Sr2 contain?
Au1P1Sr2 contains Au, P, and Sr (3 elements).
Where does the data for Au1P1Sr2 come from?
Au1P1Sr2 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

As a unique ternary phosphide, Au1P1Sr2 serves as a specific case study in the broader field of complex intermetallic semiconductors, where the interplay between the noble metal gold and the highly reactive strontium dictates its structural complexity.

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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