C12H40N4O36P12Sr4

C12H40N4O36P12Sr4 is a complex, metastable strontium-based insulating compound used primarily in fundamental structural research.

CHNOPSr
Crystal structure of C12H40N4O36P12Sr4
Ground-state structure · Materials Project
Overview

About C12H40N4O36P12Sr4

This complex strontium-based compound is characterized by its wide-band-gap insulating nature. Its intricate molecular arrangement involving carbon, nitrogen, oxygen, and phosphorus suggests a specialized role in chemical synthesis or coordination chemistry research. Given its position above the thermodynamic hull, it represents a metastable phase that offers unique insights into the structural diversity of complex strontium phosphates. The compound is primarily of interest in fundamental materials science, where researchers investigate the formation and stability of such elaborate inorganic-organic hybrid frameworks.

At a glance

Key Properties

Cross-validated computational properties for C12H40N4O36P12Sr4, aggregated across 3 databases.

Band Gap

5.55 eV
Range across DFT structures

Energy Above Hull

0.116 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

3
3 databases, 3 space groups
Uses

Applications

Where C12H40N4O36P12Sr4 is used.

Fundamental materials researchCoordination chemistry studiesStructural analysis of complex phosphates
Reference

Frequently Asked Questions

Common questions about C12H40N4O36P12Sr4, answered from cross-validated data.

What is C12H40N4O36P12Sr4?

C12H40N4O36P12Sr4 is a complex, metastable strontium-based insulating compound used primarily in fundamental structural research.

More questions
What is C12H40N4O36P12Sr4 used for?
C12H40N4O36P12Sr4 is used in fundamental materials research, coordination chemistry studies, and structural analysis of complex phosphates.
What is the band gap of C12H40N4O36P12Sr4?
C12H40N4O36P12Sr4 has a DFT-computed band gap of 5.55 eV across 3 reported structures.
Is C12H40N4O36P12Sr4 a metal, semiconductor, or insulator?
With a wide band gap up to 5.55 eV it is an insulator / wide-band-gap material.
Is C12H40N4O36P12Sr4 thermodynamically stable?
C12H40N4O36P12Sr4 has a lowest energy above hull of 0.116 eV/atom (above hull).
How many polymorphs of C12H40N4O36P12Sr4 are known?
3 structures of C12H40N4O36P12Sr4 are reported across 3 databases, spanning 3 distinct space groups.
What elements does C12H40N4O36P12Sr4 contain?
C12H40N4O36P12Sr4 contains C, H, N, O, P, and Sr (6 elements).
Where does the data for C12H40N4O36P12Sr4 come from?
C12H40N4O36P12Sr4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique entry in this structural space, this compound serves as a distinct example of how strontium can be integrated into complex polyphosphate architectures. Without direct siblings in this specific dataset, it stands as a singular case study for understanding the synthesis challenges associated with metastable, high-complexity insulating materials.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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