Cs2O36P10Ta4

This compound is a complex cesium tantalum phosphate material characterized by its specific crystalline structure. It is primarily utilized in advanced materials research, particularly in the study of solid-state chemistry and the development of specialized inorganic frameworks.

CsOPTa
Crystal structure of Cs2O36P10Ta4 (triclinic, P-1 (No. 2))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Cs2O36P10Ta4, aggregated across 3 databases.

Band Gap

2.99 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Cs2O36P10Ta4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P-1 (No. 2)triclinic2.990.0000-8.2943.88
3.69
3.69
3.69
P-1 (No. 2)
Uses

Applications

Where Cs2O36P10Ta4 is used.

Solid-state chemistry researchMaterials science explorationStructural crystallography studies
Reference

Frequently Asked Questions

Common questions about Cs2O36P10Ta4, answered from cross-validated data.

What is Cs2O36P10Ta4?

This compound is a complex cesium tantalum phosphate material characterized by its specific crystalline structure. It is primarily utilized in advanced materials research, particularly in the study of solid-state chemistry and the development of specialized inorganic frameworks.

More questions
What is Cs2O36P10Ta4 used for?
Cs2O36P10Ta4 is used in solid-state chemistry research, materials science exploration, and structural crystallography studies.
What is the band gap of Cs2O36P10Ta4?
Cs2O36P10Ta4 has a DFT-computed band gap of 2.99 eV across 5 reported structures.
Is Cs2O36P10Ta4 a metal, semiconductor, or insulator?
With a band gap up to 2.99 eV it is a semiconductor.
Is Cs2O36P10Ta4 thermodynamically stable?
Yes — Cs2O36P10Ta4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cs2O36P10Ta4?
The lowest-energy reported polymorph of Cs2O36P10Ta4 is triclinic symmetry, space group P-1 (No. 2).
What is the density of Cs2O36P10Ta4?
The computed density of the ground-state structure of Cs2O36P10Ta4 is 3.88 g/cm³.
How many polymorphs of Cs2O36P10Ta4 are known?
5 structures of Cs2O36P10Ta4 are reported across 3 databases, spanning 1 distinct space group.
What elements does Cs2O36P10Ta4 contain?
Cs2O36P10Ta4 contains Cs, O, P, and Ta (4 elements).
Where does the data for Cs2O36P10Ta4 come from?
Cs2O36P10Ta4 data is cross-referenced from materials_project, omat24, aflow.
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).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).

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