InOF

Indium oxyfluoride is a crystalline inorganic compound that combines indium, oxygen, and fluorine. It is primarily studied for its potential utility in advanced electronic and optical materials due to its unique structural properties.

Crystal structure of InOF (orthorhombic, Fddd (No. 70))
Ground-state structure · Materials Project
Overview

Key Properties

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

Band Gap

1.33–1.43 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

8
3 databases, 6 space groups
Crystallography

Reported Structures

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

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Fddd (No. 70)orthorhombic1.330.0000-5.5836.55
P1 (No. 1)triclinic1.430.0148-5.5686.29
P-1 (No. 2)Triclinic7.54
P21/m (No. 11)Monoclinic6.10
P-1 (No. 2)Triclinic6.42
Pm (No. 6)
Fddd (No. 70)
Pmmn (No. 59)
Uses

Applications

Where InOF is used.

Semiconductor researchOptical coating developmentMaterials science experimentation
Reference

Frequently Asked Questions

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

What is InOF?

Indium oxyfluoride is a crystalline inorganic compound that combines indium, oxygen, and fluorine. It is primarily studied for its potential utility in advanced electronic and optical materials due to its unique structural properties.

More questions
What is InOF used for?
InOF is used in semiconductor research, optical coating development, and materials science experimentation.
What is the band gap of InOF?
InOF has a DFT-computed band gap of 1.33–1.43 eV across 8 reported structures.
Is InOF a metal, semiconductor, or insulator?
With a band gap up to 1.43 eV it is a semiconductor.
Is InOF thermodynamically stable?
Yes — InOF sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of InOF?
The lowest-energy reported polymorph of InOF is orthorhombic symmetry, space group Fddd (No. 70).
What is the density of InOF?
The computed density of the ground-state structure of InOF is 6.55 g/cm³.
How many polymorphs of InOF are known?
8 structures of InOF are reported across 3 databases, spanning 6 distinct space groups.
What elements does InOF contain?
InOF contains F, In, and O (3 elements).
Where does the data for InOF come from?
InOF data is cross-referenced from materials_project, mpaloe, jarvis.
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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).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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