LiHoO2

Lithium holmium oxide is a ternary oxide compound that belongs to the class of lithium rare-earth oxides. It is primarily studied in the field of condensed matter physics for its magnetic properties and structural characteristics.

Crystal structure of LiHoO2 (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for LiHoO2, aggregated across 3 databases.

Band Gap

4.39 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

7
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for LiHoO2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic4.390.0000-7.4006.69
R-3m (No. 166)trigonal0.000.0806-7.3196.87
R-3m (No. 166)
P21/c (No. 14)
P21/c (No. 14)Monoclinic6.71
P21/c (No. 14)Monoclinic6.48
P21/c (No. 14)Monoclinic6.62
Uses

Applications

Where LiHoO2 is used.

Scientific researchMagnetic materials studySolid-state chemistry
Reference

Frequently Asked Questions

Common questions about LiHoO2, answered from cross-validated data.

What is LiHoO2?

Lithium holmium oxide is a ternary oxide compound that belongs to the class of lithium rare-earth oxides. It is primarily studied in the field of condensed matter physics for its magnetic properties and structural characteristics.

More questions
What is LiHoO2 used for?
LiHoO2 is used in scientific research, magnetic materials study, and solid-state chemistry.
What is the band gap of LiHoO2?
LiHoO2 has a DFT-computed band gap of 4.39 eV across 7 reported structures.
Is LiHoO2 a metal, semiconductor, or insulator?
With a wide band gap up to 4.39 eV it is an insulator / wide-band-gap material.
Is LiHoO2 thermodynamically stable?
Yes — LiHoO2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of LiHoO2?
The lowest-energy reported polymorph of LiHoO2 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of LiHoO2?
The computed density of the ground-state structure of LiHoO2 is 6.69 g/cm³.
How many polymorphs of LiHoO2 are known?
7 structures of LiHoO2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does LiHoO2 contain?
LiHoO2 contains Ho, Li, and O (3 elements).
Where does the data for LiHoO2 come from?
LiHoO2 data is cross-referenced from materials_project, jarvis, mpaloe.
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Related Compounds

Other Lithium 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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