O14Pt4Tl4

O14Pt4Tl4 is a stable, semiconducting oxide composed of platinum, thallium, and oxygen.

OPtTl
Crystal structure of O14Pt4Tl4 (cubic, Fd-3m (No. 227))
Ground-state structure · Materials Project
Overview

About O14Pt4Tl4

O14Pt4Tl4 is a complex oxide featuring platinum and thallium that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located directly on the convex hull, it represents a robust structural arrangement within its chemical system.

Its existence is supported by multiple reported structures across various materials databases, highlighting its significance in solid-state chemistry. This material serves as a subject of interest for researchers investigating the interplay between heavy metal cations and oxygen coordination in semiconducting frameworks.

At a glance

Key Properties

Cross-validated computational properties for O14Pt4Tl4, aggregated across 3 databases.

Band Gap

0.70 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 O14Pt4Tl4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Fd-3m (No. 227)cubic0.700.0000-5.83311.39
Fd-3m (No. 227)
10.97
Uses

Applications

Where O14Pt4Tl4 is used.

Solid-state electronic researchMaterials science characterization
Reference

Frequently Asked Questions

Common questions about O14Pt4Tl4, answered from cross-validated data.

What is O14Pt4Tl4?

O14Pt4Tl4 is a stable, semiconducting oxide composed of platinum, thallium, and oxygen.

More questions
What is O14Pt4Tl4 used for?
O14Pt4Tl4 is used in solid-state electronic research and materials science characterization.
What is the band gap of O14Pt4Tl4?
O14Pt4Tl4 has a DFT-computed band gap of 0.70 eV across 3 reported structures.
Is O14Pt4Tl4 a metal, semiconductor, or insulator?
With a band gap up to 0.70 eV it is a semiconductor.
Is O14Pt4Tl4 thermodynamically stable?
Yes — O14Pt4Tl4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of O14Pt4Tl4?
The lowest-energy reported polymorph of O14Pt4Tl4 is cubic symmetry, space group Fd-3m (No. 227).
What is the density of O14Pt4Tl4?
The computed density of the ground-state structure of O14Pt4Tl4 is 11.39 g/cm³.
How many polymorphs of O14Pt4Tl4 are known?
3 structures of O14Pt4Tl4 are reported across 3 databases, spanning 1 distinct space group.
What elements does O14Pt4Tl4 contain?
O14Pt4Tl4 contains O, Pt, and Tl (3 elements).
Where does the data for O14Pt4Tl4 come from?
O14Pt4Tl4 data is cross-referenced from materials_project, aflow, omat24.
Comparison

How It Compares

As a distinct oxide phase, O14Pt4Tl4 occupies a unique position in materials science, representing a stable configuration that demonstrates the potential for complex semiconducting behavior in multi-element platinum-thallium systems.

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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