Na3SbSe4

This compound is a complex chalcogenide material often studied for its ionic conductivity properties. It is primarily utilized in the development of solid-state electrolyte materials for advanced energy storage systems.

Crystal structure of Na3SbSe4 (cubic, I-43m (No. 217))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Na3SbSe4, aggregated across 3 databases.

Band Gap

0.99 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 Na3SbSe4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
I-43m (No. 217)cubic0.990.0000-12.5884.00
I-43m (No. 217)
I-43m (No. 217)Cubic4.01
I-43m (No. 217)Cubic3.88
I-43m (No. 217)Cubic3.98
Uses

Applications

Where Na3SbSe4 is used.

Solid-state batteriesIonic conductorsMaterials science research
Reference

Frequently Asked Questions

Common questions about Na3SbSe4, answered from cross-validated data.

What is Na3SbSe4?

This compound is a complex chalcogenide material often studied for its ionic conductivity properties. It is primarily utilized in the development of solid-state electrolyte materials for advanced energy storage systems.

More questions
What is Na3SbSe4 used for?
Na3SbSe4 is used in solid-state batteries, ionic conductors, and materials science research.
What is the band gap of Na3SbSe4?
Na3SbSe4 has a DFT-computed band gap of 0.99 eV across 5 reported structures.
Is Na3SbSe4 a metal, semiconductor, or insulator?
With a band gap up to 0.99 eV it is a semiconductor.
Is Na3SbSe4 thermodynamically stable?
Yes — Na3SbSe4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Na3SbSe4?
The lowest-energy reported polymorph of Na3SbSe4 is cubic symmetry, space group I-43m (No. 217).
What is the density of Na3SbSe4?
The computed density of the ground-state structure of Na3SbSe4 is 4.00 g/cm³.
How many polymorphs of Na3SbSe4 are known?
5 structures of Na3SbSe4 are reported across 3 databases, spanning 1 distinct space group.
What elements does Na3SbSe4 contain?
Na3SbSe4 contains Na, Sb, and Se (3 elements).
Where does the data for Na3SbSe4 come from?
Na3SbSe4 data is cross-referenced from materials_project, jarvis, mpaloe.
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Related Compounds

Other Bismuth Chalcogenide Thermoelectrics in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • mpaloe — Data from mpaloe.

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