K4O16P4Sr4

K4O16P4Sr4 is a stable, wide-gap insulating phosphate compound composed of potassium, strontium, phosphorus, and oxygen.

KOPSr
Crystal structure of K4O16P4Sr4 (orthorhombic, Pnma (No. 62))
Ground-state structure · Materials Project
Overview

About K4O16P4Sr4

K4O16P4Sr4 is a complex inorganic phosphate compound characterized by its insulating electronic nature. As a thermodynamically stable material residing on the convex hull, it represents a robust structural arrangement of potassium, strontium, phosphorus, and oxygen atoms.

Its stability and wide-gap electronic profile make it a subject of interest in solid-state chemistry and materials science. Researchers study this compound to understand the interplay between its constituent elements and the resulting lattice configurations.

At a glance

Key Properties

Cross-validated computational properties for K4O16P4Sr4, aggregated across 3 databases.

Band Gap

5.09 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, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for K4O16P4Sr4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pnma (No. 62)orthorhombic5.090.0000-7.0633.76
Pnma (No. 62)
2.71
Reference

Frequently Asked Questions

Common questions about K4O16P4Sr4, answered from cross-validated data.

What is K4O16P4Sr4?

K4O16P4Sr4 is a stable, wide-gap insulating phosphate compound composed of potassium, strontium, phosphorus, and oxygen.

More questions
What is the band gap of K4O16P4Sr4?
K4O16P4Sr4 has a DFT-computed band gap of 5.09 eV across 3 reported structures.
Is K4O16P4Sr4 a metal, semiconductor, or insulator?
With a wide band gap up to 5.09 eV it is an insulator / wide-band-gap material.
Is K4O16P4Sr4 thermodynamically stable?
Yes — K4O16P4Sr4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of K4O16P4Sr4?
The lowest-energy reported polymorph of K4O16P4Sr4 is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of K4O16P4Sr4?
The computed density of the ground-state structure of K4O16P4Sr4 is 3.76 g/cm³.
How many polymorphs of K4O16P4Sr4 are known?
3 structures of K4O16P4Sr4 are reported across 3 databases, spanning 1 distinct space group.
What elements does K4O16P4Sr4 contain?
K4O16P4Sr4 contains K, O, P, and Sr (4 elements).
Where does the data for K4O16P4Sr4 come from?
K4O16P4Sr4 data is cross-referenced from materials_project, aflow, omat24.
Comparison

How It Compares

As a unique phosphate phase, K4O16P4Sr4 serves as a distinct example of how alkaline and alkaline-earth metals integrate into complex anionic frameworks to achieve thermodynamic stability.

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).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).

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