PSrZn

This compound is a ternary phosphide containing strontium and zinc. It is primarily studied in academic research contexts for its structural properties and potential electronic characteristics within the field of solid-state chemistry.

PSrZn
Overview

Key Properties

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

Band Gap

0.83 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

6
3 databases, 1 space group
Crystallography

Reported Structures

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

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P-3m1 (No. 164)trigonal0.830.0000-11.0054.97
3.91
4.50
4.57
4.12
Uses

Applications

Where PSrZn is used.

Solid-state materials researchFundamental crystallographic studies
Reference

Frequently Asked Questions

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

What is PSrZn?

This compound is a ternary phosphide containing strontium and zinc. It is primarily studied in academic research contexts for its structural properties and potential electronic characteristics within the field of solid-state chemistry.

More questions
What is PSrZn used for?
PSrZn is used in solid-state materials research and fundamental crystallographic studies.
What is the band gap of PSrZn?
PSrZn has a DFT-computed band gap of 0.83 eV across 6 reported structures.
Is PSrZn a metal, semiconductor, or insulator?
With a band gap up to 0.83 eV it is a semiconductor.
Is PSrZn thermodynamically stable?
Yes — PSrZn sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of PSrZn?
The lowest-energy reported polymorph of PSrZn is trigonal symmetry, space group P-3m1 (No. 164).
What is the density of PSrZn?
The computed density of the ground-state structure of PSrZn is 4.97 g/cm³.
How many polymorphs of PSrZn are known?
6 structures of PSrZn are reported across 3 databases, spanning 1 distinct space group.
What elements does PSrZn contain?
PSrZn contains P, Sr, and Zn (3 elements).
Where does the data for PSrZn come from?
PSrZn data is cross-referenced from materials_project, omat24, alexandria.
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).
  • alexandria — Data from alexandria.

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