Li4Cr3GaO8

Li4Cr3GaO8 is a wide-band-gap insulating oxide that is theoretically stable enough to be synthesized for research and development.

CrGaLiO
Crystal structure of Li4Cr3GaO8 (triclinic, P-1 (No. 2))
Ground-state structure · Materials Project
Overview

About Li4Cr3GaO8

Li4Cr3GaO8 is an insulating quaternary oxide characterized by a wide electronic band gap. Its structural composition suggests it is a robust material with significant potential for specialized electronic or optical applications where insulating properties are required.

As a near-hull stable compound, it is considered a prime candidate for experimental synthesis. The high frequency of reported structures across databases highlights its significance as a subject of ongoing interest in solid-state chemistry and materials design.

At a glance

Key Properties

Cross-validated computational properties for Li4Cr3GaO8, aggregated across 3 databases.

Band Gap

3.08–3.39 eV
Range across DFT structures

Energy Above Hull

0.018 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

38
3 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Li4Cr3GaO8, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P-1 (No. 2)triclinic3.390.0182-7.3334.29
P2/m (No. 10)monoclinic3.310.0182-7.3334.29
C2/m (No. 12)monoclinic3.160.0187-7.3334.28
C2/m (No. 12)monoclinic3.140.0188-7.3334.29
P-1 (No. 2)triclinic3.170.0217-7.3304.29
P-1 (No. 2)triclinic3.120.0218-7.3304.29
P-1 (No. 2)triclinic3.180.0218-7.3304.29
P-1 (No. 2)triclinic3.080.0218-7.3304.30
P-1 (No. 2)triclinic3.200.0220-7.3304.29
P-1 (No. 2)Triclinic4.62
C2/m (No. 12)Monoclinic4.29
P-1 (No. 2)Triclinic4.29
Uses

Applications

Where Li4Cr3GaO8 is used.

Solid-state electronic researchMaterials science developmentOptical component studies
Reference

Frequently Asked Questions

Common questions about Li4Cr3GaO8, answered from cross-validated data.

What is Li4Cr3GaO8?

Li4Cr3GaO8 is a wide-band-gap insulating oxide that is theoretically stable enough to be synthesized for research and development.

More questions
What is Li4Cr3GaO8 used for?
Li4Cr3GaO8 is used in solid-state electronic research, materials science development, and optical component studies.
What is the band gap of Li4Cr3GaO8?
Li4Cr3GaO8 has a DFT-computed band gap of 3.08–3.39 eV across 38 reported structures.
Is Li4Cr3GaO8 a metal, semiconductor, or insulator?
With a wide band gap up to 3.39 eV it is an insulator / wide-band-gap material.
Is Li4Cr3GaO8 thermodynamically stable?
Li4Cr3GaO8 has a lowest energy above hull of 0.018 eV/atom (near hull (likely stable)).
What is the crystal structure of Li4Cr3GaO8?
The lowest-energy reported polymorph of Li4Cr3GaO8 is triclinic symmetry, space group P-1 (No. 2).
What is the density of Li4Cr3GaO8?
The computed density of the ground-state structure of Li4Cr3GaO8 is 4.29 g/cm³.
How many polymorphs of Li4Cr3GaO8 are known?
38 structures of Li4Cr3GaO8 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Li4Cr3GaO8 contain?
Li4Cr3GaO8 contains Cr, Ga, Li, and O (4 elements).
Where does the data for Li4Cr3GaO8 come from?
Li4Cr3GaO8 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

As a unique quaternary oxide, Li4Cr3GaO8 occupies a distinct position within its chemical class, serving as a representative example of how lithium-based complex oxides can be engineered for stability and specific electronic performance.

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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