Ba2In2O5

barium indate · brownmillerite-type barium indate

Barium indate is a complex oxide material known for its oxygen-deficient crystal structure. It is primarily studied for its potential as a solid electrolyte in electrochemical devices due to its ability to facilitate ion transport.

Crystal structure of Ba2In2O5 (orthorhombic, Ima2 (No. 46))
Ground-state structure · Materials Project
Overview

Key Properties

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

Band Gap

0.41–0.92 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

16
3 databases, 6 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Ba2In2O5, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Ima2 (No. 46)orthorhombic0.920.0000-6.2116.26
C2/c (No. 15)monoclinic0.920.0407-6.1706.26
Pmm2 (No. 25)orthorhombic0.480.0582-6.1536.17
Aem2 (No. 39)orthorhombic0.410.0742-6.1376.24
P1 (No. 1)triclinic0.000.1513-6.0606.07
I4/mmm (No. 139)tetragonal0.000.1518-6.0596.06
I4/mmm (No. 139)
C2/c (No. 15)
C2/c (No. 15)Monoclinic6.72
Ima2 (No. 46)
Pmm2 (No. 25)
C2/c (No. 15)Monoclinic6.49
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting Ba2In2O5.

Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Uses

Applications

Where barium indate is used.

solid oxide fuel cellsoxygen sensorscatalysis researchproton-conducting membranes
Reference

Frequently Asked Questions

Common questions about barium indate, answered from cross-validated data.

What is Ba2In2O5?

Barium indate is a complex oxide material known for its oxygen-deficient crystal structure. It is primarily studied for its potential as a solid electrolyte in electrochemical devices due to its ability to facilitate ion transport.

More questions
What is Ba2In2O5 used for?
barium indate (Ba2In2O5) is used in solid oxide fuel cells, oxygen sensors, catalysis research, and proton-conducting membranes.
What is the band gap of Ba2In2O5?
barium indate (Ba2In2O5) has a DFT-computed band gap of 0.41–0.92 eV across 16 reported structures.
Is Ba2In2O5 a metal, semiconductor, or insulator?
With a band gap up to 0.92 eV it is a semiconductor.
Is Ba2In2O5 thermodynamically stable?
Yes — barium indate (Ba2In2O5) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ba2In2O5?
The lowest-energy reported polymorph of barium indate (Ba2In2O5) is orthorhombic symmetry, space group Ima2 (No. 46).
What is the density of Ba2In2O5?
The computed density of the ground-state structure of barium indate (Ba2In2O5) is 6.26 g/cm³.
How many polymorphs of Ba2In2O5 are known?
16 structures of Ba2In2O5 are reported across 3 databases, spanning 6 distinct space groups.
How is Ba2In2O5 synthesized?
Literature-reported routes for Ba2In2O5 include sol-gel (2 procedures documented).
What elements does Ba2In2O5 contain?
barium indate (Ba2In2O5) contains Ba, In, and O (3 elements).
Where does the data for Ba2In2O5 come from?
Ba2In2O5 data is cross-referenced from materials_project, jarvis, mpaloe.
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Related Compounds

Other Transparent Conducting Oxides 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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