Al6F24Na2Rb4

This complex fluoride compound is a crystalline material composed of aluminum, fluorine, sodium, and rubidium. It is primarily studied in the context of solid-state chemistry and materials science research regarding fluoride-based ionic conductors and structural crystallography.

AlFNaRb
Crystal structure of Al6F24Na2Rb4 (monoclinic, P21/m (No. 11))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Al6F24Na2Rb4, aggregated across 4 databases.

Band Gap

6.80–7.13 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

6
4 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Al6F24Na2Rb4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/m (No. 11)monoclinic7.130.0000-5.7313.25
P1 (No. 1)triclinic6.800.0124-5.7183.25
P21/m (No. 11)
P21/m (No. 11)
3.25
P21/m (No. 11)
Uses

Applications

Where Al6F24Na2Rb4 is used.

Materials science researchCrystallographic studiesSolid-state chemistry investigation
Reference

Frequently Asked Questions

Common questions about Al6F24Na2Rb4, answered from cross-validated data.

What is Al6F24Na2Rb4?

This complex fluoride compound is a crystalline material composed of aluminum, fluorine, sodium, and rubidium. It is primarily studied in the context of solid-state chemistry and materials science research regarding fluoride-based ionic conductors and structural crystallography.

More questions
What is Al6F24Na2Rb4 used for?
Al6F24Na2Rb4 is used in materials science research, crystallographic studies, and solid-state chemistry investigation.
What is the band gap of Al6F24Na2Rb4?
Al6F24Na2Rb4 has a DFT-computed band gap of 6.80–7.13 eV across 6 reported structures.
Is Al6F24Na2Rb4 a metal, semiconductor, or insulator?
With a wide band gap up to 7.13 eV it is an insulator / wide-band-gap material.
Is Al6F24Na2Rb4 thermodynamically stable?
Yes — Al6F24Na2Rb4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Al6F24Na2Rb4?
The lowest-energy reported polymorph of Al6F24Na2Rb4 is monoclinic symmetry, space group P21/m (No. 11).
What is the density of Al6F24Na2Rb4?
The computed density of the ground-state structure of Al6F24Na2Rb4 is 3.25 g/cm³.
How many polymorphs of Al6F24Na2Rb4 are known?
6 structures of Al6F24Na2Rb4 are reported across 4 databases, spanning 2 distinct space groups.
What elements does Al6F24Na2Rb4 contain?
Al6F24Na2Rb4 contains Al, F, Na, and Rb (4 elements).
Where does the data for Al6F24Na2Rb4 come from?
Al6F24Na2Rb4 data is cross-referenced from materials_project, nomad, aflow, omat24.
Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
  • 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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